[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine

C13H18Cl2N2 — CID 86313839

IUPAC[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c14-12-4-1-5-13(15)11(12)9-17-6-2-3-10(7-16)8-17/h1,4-5,10H,2-3,6-9,16H2/t10-/m1/s1
InChIKeyVUURSOHOBLYTNS-SNVBAGLBSA-N
MW273.21 g/mol
LogP3.16
Rot. Bonds3

About [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine

[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 86313839) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
PubChem CID86313839
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c14-12-4-1-5-13(15)11(12)9-17-6-2-3-10(7-16)8-17/h1,4-5,10H,2-3,6-9,16H2/t10-/m1/s1
InChIKeyVUURSOHOBLYTNS-SNVBAGLBSA-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

[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
3-chloro-2-[(3-ethylpiperidin-1-yl)methyl]aniline
CID 63745585
(1-benzylazepan-3-yl)methanamine
CID 15718476
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592900
1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine
CID 24905023
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154906521

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine (CID 86313839) is [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine is NC[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is VUURSOHOBLYTNS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-12-4-1-5-13(15)11(12)9-17-6-2-3-10(7-16)8-17/h1,4-5,10H,2-3,6-9,16H2/t10-/m1/s1.
What are the key properties of [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine?
[(3R)-1-[(2,6-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 [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 86313839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).