1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol

C27H33N3O3 — CID 24732926

IUPAC1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESCN(C)c1ccc(-c2ccc(OC3CCN(CC(O)COc4ccccc4)CC3)cc2)cn1
InChIInChI=1S/C27H33N3O3/c1-29(2)27-13-10-22(18-28-27)21-8-11-25(12-9-21)33-26-14-16-30(17-15-26)19-23(31)20-32-24-6-4-3-5-7-24/h3-13,18,23,26,31H,14-17,19-20H2,1-2H3
InChIKeyCLJCAUXFDNINKC-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.10
Rot. Bonds9

About 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol

1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 24732926) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID24732926
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESCN(C)c1ccc(-c2ccc(OC3CCN(CC(O)COc4ccccc4)CC3)cc2)cn1
InChIInChI=1S/C27H33N3O3/c1-29(2)27-13-10-22(18-28-27)21-8-11-25(12-9-21)33-26-14-16-30(17-15-26)19-23(31)20-32-24-6-4-3-5-7-24/h3-13,18,23,26,31H,14-17,19-20H2,1-2H3
InChIKeyCLJCAUXFDNINKC-UHFFFAOYSA-N
XLogP4.10
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041912
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
1-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 141041950
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol (CID 24732926) is 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol is CN(C)c1ccc(-c2ccc(OC3CCN(CC(O)COc4ccccc4)CC3)cc2)cn1.
What is the InChIKey of 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is CLJCAUXFDNINKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-29(2)27-13-10-22(18-28-27)21-8-11-25(12-9-21)33-26-14-16-30(17-15-26)19-23(31)20-32-24-6-4-3-5-7-24/h3-13,18,23,26,31H,14-17,19-20H2,1-2H3.
What are the key properties of 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol?
1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 447.58 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 24732926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).