3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine

C16H22ClNO — CID 117449060

IUPAC3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
SMILESClc1ccc(CC2CCCNC2)cc1OCC1CC1
InChIInChI=1S/C16H22ClNO/c17-15-6-5-13(8-14-2-1-7-18-10-14)9-16(15)19-11-12-3-4-12/h5-6,9,12,14,18H,1-4,7-8,10-11H2
InChIKeyZIHLWUGUBVDKFY-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.67
Rot. Bonds5

About 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine

3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine (PubChem CID 117449060) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
PubChem CID117449060
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
SMILESClc1ccc(CC2CCCNC2)cc1OCC1CC1
InChIInChI=1S/C16H22ClNO/c17-15-6-5-13(8-14-2-1-7-18-10-14)9-16(15)19-11-12-3-4-12/h5-6,9,12,14,18H,1-4,7-8,10-11H2
InChIKeyZIHLWUGUBVDKFY-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494517
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117326029
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117327701
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine?
The IUPAC name of 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine (CID 117449060) is 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine is Clc1ccc(CC2CCCNC2)cc1OCC1CC1.
What is the InChIKey of 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine?
The InChIKey is ZIHLWUGUBVDKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-15-6-5-13(8-14-2-1-7-18-10-14)9-16(15)19-11-12-3-4-12/h5-6,9,12,14,18H,1-4,7-8,10-11H2.
What are the key properties of 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine?
3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine has a molecular weight of 279.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117449060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).