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

C13H18Cl2N2 — CID 86329767

IUPAC[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2/c14-11-4-5-13(15)10(7-11)9-17-6-2-1-3-12(17)8-16/h4-5,7,12H,1-3,6,8-9,16H2/t12-/m0/s1
InChIKeySWDGRYNBYMKNDM-LBPRGKRZSA-N
MW273.21 g/mol
LogP3.31
Rot. Bonds3

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

[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 86329767) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is [(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
PubChem CID86329767
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2/c14-11-4-5-13(15)10(7-11)9-17-6-2-1-3-12(17)8-16/h4-5,7,12H,1-3,6,8-9,16H2/t12-/m0/s1
InChIKeySWDGRYNBYMKNDM-LBPRGKRZSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65317396
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 65318410
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
2-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 66155674

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine (CID 86329767) is [(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine is NC[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of [(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is SWDGRYNBYMKNDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-11-4-5-13(15)10(7-11)9-17-6-2-1-3-12(17)8-16/h4-5,7,12H,1-3,6,8-9,16H2/t12-/m0/s1.
What are the key properties of [(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine?
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 273.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 86329767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).