4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine

C16H22ClNO — CID 10381019

IUPAC4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine
SMILESClc1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C16H22ClNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
InChIKeySQRXAJRZEFTEFS-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.84
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine

4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine (PubChem CID 10381019) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine
PubChem CID10381019
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine
SMILESClc1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C16H22ClNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
InChIKeySQRXAJRZEFTEFS-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyridin-2-amine
CID 141417939
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
1-chloro-4-(cyclopropylmethoxymethoxy)benzene
CID 106931199
1-chloro-4-[2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933657
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
cyclopropylmethoxybenzene
CID 12712156
1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine
CID 110639138
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 71060557
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842554

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine (CID 10381019) is 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine is Clc1ccc(OCC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine?
The InChIKey is SQRXAJRZEFTEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine?
4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine has a molecular weight of 279.81 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine is sourced from PubChem (CID 10381019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).