1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine

C13H19ClN2O — CID 12641842

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(Cl)cc1CN1CCC(N)CC1
InChIInChI=1S/C13H19ClN2O/c1-17-13-3-2-11(14)8-10(13)9-16-6-4-12(15)5-7-16/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyBIIVVOPZCPEDGN-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.27
Rot. Bonds3

About 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine

1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 12641842) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID12641842
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(Cl)cc1CN1CCC(N)CC1
InChIInChI=1S/C13H19ClN2O/c1-17-13-3-2-11(14)8-10(13)9-16-6-4-12(15)5-7-16/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyBIIVVOPZCPEDGN-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 171624938
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922028
3-[(5-chloro-2-methoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927486
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 63344190
3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43646650
(3-aminocyclohexyl)-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119843700

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine (CID 12641842) is 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine is COc1ccc(Cl)cc1CN1CCC(N)CC1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is BIIVVOPZCPEDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-17-13-3-2-11(14)8-10(13)9-16-6-4-12(15)5-7-16/h2-3,8,12H,4-7,9,15H2,1H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine?
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 12641842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).