1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one

C19H38N2O — CID 129384436

IUPAC1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-15-19(22)21-16-13-12-14-18(21)17-20/h18H,2-17,20H2,1H3/t18-/m1/s1
InChIKeyHLAYZWQQWWDDRM-GOSISDBHSA-N
MW310.53 g/mol
LogP4.64
Rot. Bonds12

About 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one

1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one (PubChem CID 129384436) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
PubChem CID129384436
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-15-19(22)21-16-13-12-14-18(21)17-20/h18H,2-17,20H2,1H3/t18-/m1/s1
InChIKeyHLAYZWQQWWDDRM-GOSISDBHSA-N
XLogP4.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
1-[2-(methylsulfonylmethyl)piperidin-1-yl]octan-1-one
CID 126818714
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride
CID 119469783
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one?
The IUPAC name of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one (CID 129384436) is 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one.
What is the SMILES notation for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one?
The canonical SMILES for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one is CCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CN.
What is the InChIKey of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one?
The InChIKey is HLAYZWQQWWDDRM-GOSISDBHSA-N. The full InChI is InChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-15-19(22)21-16-13-12-14-18(21)17-20/h18H,2-17,20H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one?
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one has a molecular weight of 310.53 g/mol, XLogP of 4.64, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one is sourced from PubChem (CID 129384436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).