1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine

C15H30N2 — CID 54885429

IUPAC1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
SMILESCC(C)(C)CCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C15H30N2/c1-15(2,3)8-11-17-10-5-6-13(12-17)14-7-4-9-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyFSGCTEQPLSNAKB-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine

1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 54885429) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID54885429
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
SMILESCC(C)(C)CCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C15H30N2/c1-15(2,3)8-11-17-10-5-6-13(12-17)14-7-4-9-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyFSGCTEQPLSNAKB-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpentyl)-3-pyrrolidin-2-ylpiperidine
CID 83158375
1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine
CID 103832257
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
CID 54957761
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
CID 112703556
1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine
CID 60978303
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
1-[2-(oxolan-2-yl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 65162427
2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 60978434
1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine
CID 66046701
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978832
1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine
CID 60979508

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine (CID 54885429) is 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine is CC(C)(C)CCN1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is FSGCTEQPLSNAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(2,3)8-11-17-10-5-6-13(12-17)14-7-4-9-16-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine?
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 54885429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).