1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen

C16H35N3 — CID 166113030

IUPAC1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen
SMILESCCN1CCC(CN2CCC(NC(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C16H33N3.H2/c1-4-18-9-5-15(6-10-18)13-19-11-7-16(8-12-19)17-14(2)3;/h14-17H,4-13H2,1-3H3;1H
InChIKeyKFPPPQKYVWYSJY-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds5

About 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen

1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen (PubChem CID 166113030) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen
PubChem CID166113030
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen
SMILESCCN1CCC(CN2CCC(NC(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C16H33N3.H2/c1-4-18-9-5-15(6-10-18)13-19-11-7-16(8-12-19)17-14(2)3;/h14-17H,4-13H2,1-3H3;1H
InChIKeyKFPPPQKYVWYSJY-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen
CID 176576480
1-(cyclopropylmethyl)-N-pentan-2-ylpiperidin-4-amine
CID 115704112
N-[(1R)-1-cycloheptylethyl]-1-ethylpiperidin-4-amine
CID 81391096
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724
2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724726
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen
CID 156795305
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen (CID 166113030) is 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen is CCN1CCC(CN2CCC(NC(C)C)CC2)CC1.[H][H].
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen?
The InChIKey is KFPPPQKYVWYSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3.H2/c1-4-18-9-5-15(6-10-18)13-19-11-7-16(8-12-19)17-14(2)3;/h14-17H,4-13H2,1-3H3;1H.
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen?
1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen has a molecular weight of 269.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 166113030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).