4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine

C21H34N2O2 — CID 70784455

IUPAC4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C)Oc1cccc(CN2CCC(C(C)N3CCOCC3)CC2)c1
InChIInChI=1S/C21H34N2O2/c1-17(2)25-21-6-4-5-19(15-21)16-22-9-7-20(8-10-22)18(3)23-11-13-24-14-12-23/h4-6,15,17-18,20H,7-14,16H2,1-3H3
InChIKeyNAFVYOFYIXSUNS-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.41
Rot. Bonds6

About 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine

4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine (PubChem CID 70784455) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
PubChem CID70784455
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C)Oc1cccc(CN2CCC(C(C)N3CCOCC3)CC2)c1
InChIInChI=1S/C21H34N2O2/c1-17(2)25-21-6-4-5-19(15-21)16-22-9-7-20(8-10-22)18(3)23-11-13-24-14-12-23/h4-6,15,17-18,20H,7-14,16H2,1-3H3
InChIKeyNAFVYOFYIXSUNS-UHFFFAOYSA-N
XLogP3.41
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
4-[3-[(3-propan-2-yloxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]morpholine;dihydrochloride
CID 171671823
4-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]phenol
CID 95894012
4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70705816
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
CID 111113680
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol
CID 70749351
(3aR,6aS)-5-[(3-propan-2-yloxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660913

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine (CID 70784455) is 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine is CC(C)Oc1cccc(CN2CCC(C(C)N3CCOCC3)CC2)c1.
What is the InChIKey of 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is NAFVYOFYIXSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-17(2)25-21-6-4-5-19(15-21)16-22-9-7-20(8-10-22)18(3)23-11-13-24-14-12-23/h4-6,15,17-18,20H,7-14,16H2,1-3H3.
What are the key properties of 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine?
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 346.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 70784455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).