4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine

C17H24ClNO — CID 117474195

IUPAC4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
SMILESClc1cc(CC2CCNCC2)cc(OCC2CCC2)c1
InChIInChI=1S/C17H24ClNO/c18-16-9-15(8-13-4-6-19-7-5-13)10-17(11-16)20-12-14-2-1-3-14/h9-11,13-14,19H,1-8,12H2
InChIKeyWPALCQOLGIABNL-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.06
Rot. Bonds5

About 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine

4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine (PubChem CID 117474195) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
PubChem CID117474195
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
SMILESClc1cc(CC2CCNCC2)cc(OCC2CCC2)c1
InChIInChI=1S/C17H24ClNO/c18-16-9-15(8-13-4-6-19-7-5-13)10-17(11-16)20-12-14-2-1-3-14/h9-11,13-14,19H,1-8,12H2
InChIKeyWPALCQOLGIABNL-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117418768
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117423442
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912
(3S)-3-[(3-bromo-5-chlorophenoxy)methyl]pyrrolidine;hydrochloride
CID 166175564
1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
CID 138985972
[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
CID 117492823
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863
(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine
CID 117382831
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine?
The IUPAC name of 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine (CID 117474195) is 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine is Clc1cc(CC2CCNCC2)cc(OCC2CCC2)c1.
What is the InChIKey of 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine?
The InChIKey is WPALCQOLGIABNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-16-9-15(8-13-4-6-19-7-5-13)10-17(11-16)20-12-14-2-1-3-14/h9-11,13-14,19H,1-8,12H2.
What are the key properties of 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine?
4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine has a molecular weight of 293.84 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117474195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).