[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine

C13H18Cl2N2 — CID 65318797

IUPAC[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c14-12-3-4-13(15)11(6-12)9-17-5-1-2-10(7-16)8-17/h3-4,6,10H,1-2,5,7-9,16H2
InChIKeyROKPDDMGMLNFGD-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.16
Rot. Bonds3

About [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine

[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 65318797) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
PubChem CID65318797
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c14-12-3-4-13(15)11(6-12)9-17-5-1-2-10(7-16)8-17/h3-4,6,10H,1-2,5,7-9,16H2
InChIKeyROKPDDMGMLNFGD-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
CID 65318449
3-(2-bromoethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
CID 80690764
[(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 171625000
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
methyl 3-[[3-(aminomethyl)piperidin-1-yl]methyl]-4-chlorobenzoate
CID 120836635
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 116519780
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582065

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine (CID 65318797) is [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine is NCC1CCCN(Cc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is ROKPDDMGMLNFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-12-3-4-13(15)11(6-12)9-17-5-1-2-10(7-16)8-17/h3-4,6,10H,1-2,5,7-9,16H2.
What are the key properties of [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine?
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 273.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 65318797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).