1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine

C16H33N3 — CID 80552662

IUPAC1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine
SMILESCCCC(CCC)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H33N3/c1-3-5-15(6-4-2)19-12-9-16(13-19)18-10-7-14(17)8-11-18/h14-16H,3-13,17H2,1-2H3
InChIKeyKQYXCNLZOQRWDJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.45
Rot. Bonds6

About 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine

1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine (PubChem CID 80552662) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine
PubChem CID80552662
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine
SMILESCCCC(CCC)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H33N3/c1-3-5-15(6-4-2)19-12-9-16(13-19)18-10-7-14(17)8-11-18/h14-16H,3-13,17H2,1-2H3
InChIKeyKQYXCNLZOQRWDJ-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-heptan-4-ylpiperidin-4-amine
CID 29009442
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-propylpropanamide
CID 80553139
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
CID 80553344
1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546975
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate
CID 80552988
1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
CID 80553977
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546798
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535
1-(1-heptan-4-ylazetidin-3-yl)piperazine
CID 66203956
1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473943

Frequently Asked Questions

What is the IUPAC name of 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine?
The IUPAC name of 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine (CID 80552662) is 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine is CCCC(CCC)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine?
The InChIKey is KQYXCNLZOQRWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-5-15(6-4-2)19-12-9-16(13-19)18-10-7-14(17)8-11-18/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine?
1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 80552662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).