N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine

C19H32N2 — CID 63533952

IUPACN-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
SMILESCCCC1(CN(Cc2ccccc2)C(C)C)CCCNC1
InChIInChI=1S/C19H32N2/c1-4-11-19(12-8-13-20-15-19)16-21(17(2)3)14-18-9-6-5-7-10-18/h5-7,9-10,17,20H,4,8,11-16H2,1-3H3
InChIKeyACEZGMFCDZJZLF-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.07
Rot. Bonds7

About N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine

N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine (PubChem CID 63533952) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
PubChem CID63533952
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
SMILESCCCC1(CN(Cc2ccccc2)C(C)C)CCCNC1
InChIInChI=1S/C19H32N2/c1-4-11-19(12-8-13-20-15-19)16-21(17(2)3)14-18-9-6-5-7-10-18/h5-7,9-10,17,20H,4,8,11-16H2,1-3H3
InChIKeyACEZGMFCDZJZLF-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 113242307
1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63534076
1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63132884
N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine
CID 55164134
N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 65486941
3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 107870233
N-methyl-N-[(3-propylpiperidin-3-yl)methyl]propan-1-amine
CID 63132958
N-(2-methylpropyl)-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133310
[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride
CID 154924786
3-benzyl-3-(fluoromethyl)piperidine
CID 84779719
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 63133103
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133418

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine (CID 63533952) is N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine is CCCC1(CN(Cc2ccccc2)C(C)C)CCCNC1.
What is the InChIKey of N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine?
The InChIKey is ACEZGMFCDZJZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-11-19(12-8-13-20-15-19)16-21(17(2)3)14-18-9-6-5-7-10-18/h5-7,9-10,17,20H,4,8,11-16H2,1-3H3.
What are the key properties of N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine?
N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 63533952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).