1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol

C24H28N2O2 — CID 70076254

IUPAC1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H28N2O2/c27-23(18-28-24-8-2-1-3-9-24)17-26-14-12-21(13-15-26)25-22-11-10-19-6-4-5-7-20(19)16-22/h1-11,16,21,23,25,27H,12-15,17-18H2
InChIKeyGZRXJFDZEXBMMU-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.16
Rot. Bonds7

About 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol

1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 70076254) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID70076254
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H28N2O2/c27-23(18-28-24-8-2-1-3-9-24)17-26-14-12-21(13-15-26)25-22-11-10-19-6-4-5-7-20(19)16-22/h1-11,16,21,23,25,27H,12-15,17-18H2
InChIKeyGZRXJFDZEXBMMU-UHFFFAOYSA-N
XLogP4.16
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
CID 129279650
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041912
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide
CID 47039869
1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 23345144
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 110020401
1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea
CID 86831832

Frequently Asked Questions

What is the IUPAC name of 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol (CID 70076254) is 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol is OC(COc1ccccc1)CN1CCC(Nc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is GZRXJFDZEXBMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(18-28-24-8-2-1-3-9-24)17-26-14-12-21(13-15-26)25-22-11-10-19-6-4-5-7-20(19)16-22/h1-11,16,21,23,25,27H,12-15,17-18H2.
What are the key properties of 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol?
1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 376.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 70076254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).