1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine

C16H31N3 — CID 62273006

IUPAC1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
SMILESCCCN1CCC(N2CCCC2C2CCCN2)CC1
InChIInChI=1S/C16H31N3/c1-2-10-18-12-7-14(8-13-18)19-11-4-6-16(19)15-5-3-9-17-15/h14-17H,2-13H2,1H3
InChIKeyATLIZCFNVYWKDF-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds4

About 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine

1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine (PubChem CID 62273006) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
PubChem CID62273006
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
SMILESCCCN1CCC(N2CCCC2C2CCCN2)CC1
InChIInChI=1S/C16H31N3/c1-2-10-18-12-7-14(8-13-18)19-11-4-6-16(19)15-5-3-9-17-15/h14-17H,2-13H2,1H3
InChIKeyATLIZCFNVYWKDF-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane
CID 65078027
1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
CID 62274739
1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62275570
1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
CID 65085970
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571366
1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 64756807
1-(2-ethylcyclohexyl)-2-pyrrolidin-2-ylpiperidine
CID 63863432
1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
CID 82892557
2-pyrrolidin-2-yl-1-spiro[4.5]decan-8-ylpiperidine
CID 114818840
(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676086

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine?
The IUPAC name of 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine (CID 62273006) is 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine.
What is the SMILES notation for 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine?
The canonical SMILES for 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine is CCCN1CCC(N2CCCC2C2CCCN2)CC1.
What is the InChIKey of 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine?
The InChIKey is ATLIZCFNVYWKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-10-18-12-7-14(8-13-18)19-11-4-6-16(19)15-5-3-9-17-15/h14-17H,2-13H2,1H3.
What are the key properties of 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine?
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine is sourced from PubChem (CID 62273006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).