7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline

C32H46N2O4 — CID 21253775

IUPAC7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline
SMILESCOCCCN1CCCc2ccc(COC3CNCCC3c3ccc(OCCCOCC4CC4)cc3)cc21
InChIInChI=1S/C32H46N2O4/c1-35-18-3-17-34-16-2-5-28-9-8-26(21-31(28)34)24-38-32-22-33-15-14-30(32)27-10-12-29(13-11-27)37-20-4-19-36-23-25-6-7-25/h8-13,21,25,30,32-33H,2-7,14-20,22-24H2,1H3
InChIKeyUKBXGPMAPYFPIQ-UHFFFAOYSA-N
MW522.73 g/mol
LogP5.33
Rot. Bonds15

About 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline

7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline (PubChem CID 21253775) has the molecular formula C32H46N2O4 and a molecular weight of 522.73 g/mol. Its IUPAC name is 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline
PubChem CID21253775
Molecular FormulaC32H46N2O4
Molecular Weight522.73 g/mol
Exact Mass522.35
IUPAC Name7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline
SMILESCOCCCN1CCCc2ccc(COC3CNCCC3c3ccc(OCCCOCC4CC4)cc3)cc21
InChIInChI=1S/C32H46N2O4/c1-35-18-3-17-34-16-2-5-28-9-8-26(21-31(28)34)24-38-32-22-33-15-14-30(32)27-10-12-29(13-11-27)37-20-4-19-36-23-25-6-7-25/h8-13,21,25,30,32-33H,2-7,14-20,22-24H2,1H3
InChIKeyUKBXGPMAPYFPIQ-UHFFFAOYSA-N
XLogP5.33
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.73
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]acetic acid
CID 21253776
2,2,2-trifluoro-N-[2-[7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide
CID 87855195
4-(3-methoxypropyl)-6-[[4-[4-[3-(oxan-4-yloxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-2,3-dihydro-1,4-benzoxazine
CID 68500586
7-[[(3R,4R)-4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one
CID 59457338
6-[[(3R,4R)-4-[4-[2-(1,3-benzodioxol-5-yloxy)ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine
CID 59457236
6-[[(3R,4R)-4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine
CID 59457334
6-[[(3R,4R)-4-[4-[3-[(2-fluorophenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine
CID 59457249
6-[[(4R)-4-[4-[3-(2-fluorophenoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine
CID 143066531
6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole
CID 59457131
6-[[(3R,4R)-4-[4-[2-[(2-methoxyphenyl)methoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine
CID 59457379
2-methoxy-2-methylpropan-1-ol;6-[[(3R)-4-(4-methoxyphenyl)piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine
CID 143507369
(2R)-1-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]-3-phenoxypropan-2-ol
CID 59457260

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline (CID 21253775) is 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline is COCCCN1CCCc2ccc(COC3CNCCC3c3ccc(OCCCOCC4CC4)cc3)cc21.
What is the InChIKey of 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline?
The InChIKey is UKBXGPMAPYFPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O4/c1-35-18-3-17-34-16-2-5-28-9-8-26(21-31(28)34)24-38-32-22-33-15-14-30(32)27-10-12-29(13-11-27)37-20-4-19-36-23-25-6-7-25/h8-13,21,25,30,32-33H,2-7,14-20,22-24H2,1H3.
What are the key properties of 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline?
7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline has a molecular weight of 522.73 g/mol, XLogP of 5.33, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-[3-(cyclopropylmethoxy)propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 21253775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).