[3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine

C14H21ClN2O — CID 65471883

IUPAC[3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
SMILESCN1CCCCC1COc1ccc(CN)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-17-7-3-2-4-12(17)10-18-14-6-5-11(9-16)8-13(14)15/h5-6,8,12H,2-4,7,9-10,16H2,1H3
InChIKeyRTCWZWZQZUCMGB-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.66
Rot. Bonds4

About [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine

[3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine (PubChem CID 65471883) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
PubChem CID65471883
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
SMILESCN1CCCCC1COc1ccc(CN)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-17-7-3-2-4-12(17)10-18-14-6-5-11(9-16)8-13(14)15/h5-6,8,12H,2-4,7,9-10,16H2,1H3
InChIKeyRTCWZWZQZUCMGB-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
[2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]methanamine
CID 124673126
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
3-chloro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzonitrile
CID 103603446
3-bromo-4-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 82805149
3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 61102885
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine
CID 80507893
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
4-[(1-methylpiperidin-2-yl)methoxy]pyridin-3-amine
CID 65472260
2-[4-(aminomethyl)-2-chlorophenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 61389168

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine (CID 65471883) is [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine is CN1CCCCC1COc1ccc(CN)cc1Cl.
What is the InChIKey of [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine?
The InChIKey is RTCWZWZQZUCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17-7-3-2-4-12(17)10-18-14-6-5-11(9-16)8-13(14)15/h5-6,8,12H,2-4,7,9-10,16H2,1H3.
What are the key properties of [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine?
[3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 65471883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).