3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine

C26H37N3O2 — CID 167101206

IUPAC3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
SMILESc1ccc(C2CCC(OCC3NCCCC3c3ccnn3C3CCCCO3)CC2)cc1
InChIInChI=1S/C26H37N3O2/c1-2-7-20(8-3-1)21-11-13-22(14-12-21)31-19-24-23(9-6-16-27-24)25-15-17-28-29(25)26-10-4-5-18-30-26/h1-3,7-8,15,17,21-24,26-27H,4-6,9-14,16,18-19H2
InChIKeyAEHSWXYYEDKWDC-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.16
Rot. Bonds6

About 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine

3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine (PubChem CID 167101206) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
PubChem CID167101206
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
SMILESc1ccc(C2CCC(OCC3NCCCC3c3ccnn3C3CCCCO3)CC2)cc1
InChIInChI=1S/C26H37N3O2/c1-2-7-20(8-3-1)21-11-13-22(14-12-21)31-19-24-23(9-6-16-27-24)25-15-17-28-29(25)26-10-4-5-18-30-26/h1-3,7-8,15,17,21-24,26-27H,4-6,9-14,16,18-19H2
InChIKeyAEHSWXYYEDKWDC-UHFFFAOYSA-N
XLogP5.16
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trimethyl-[2-[[3-[(2R)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 170656007
ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
CID 154681369
N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 155054694
methyl (2R,3S)-3-[4-iodo-1-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 163392264
N-[(2R,3S)-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310375
tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate
CID 154681381
(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carbaldehyde
CID 174159901
(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxylic acid
CID 174159975
7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one
CID 166107536
CID 88950303
CID 88950303
2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid
CID 170605373
methyl (2R)-2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 163392222

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
The IUPAC name of 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine (CID 167101206) is 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine.
What is the SMILES notation for 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
The canonical SMILES for 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine is c1ccc(C2CCC(OCC3NCCCC3c3ccnn3C3CCCCO3)CC2)cc1.
What is the InChIKey of 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
The InChIKey is AEHSWXYYEDKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-2-7-20(8-3-1)21-11-13-22(14-12-21)31-19-24-23(9-6-16-27-24)25-15-17-28-29(25)26-10-4-5-18-30-26/h1-3,7-8,15,17,21-24,26-27H,4-6,9-14,16,18-19H2.
What are the key properties of 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine has a molecular weight of 423.60 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yl)pyrazol-3-yl]-2-[(4-phenylcyclohexyl)oxymethyl]piperidine is sourced from PubChem (CID 167101206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).