1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine

C14H26N2 — CID 66046701

IUPAC1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine
SMILESC=C(CC)CN1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H26N2/c1-3-12(2)10-16-9-5-6-13(11-16)14-7-4-8-15-14/h13-15H,2-11H2,1H3
InChIKeyQXWNSAPQFZENLC-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.42
Rot. Bonds4

About 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine

1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 66046701) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID66046701
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine
SMILESC=C(CC)CN1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H26N2/c1-3-12(2)10-16-9-5-6-13(11-16)14-7-4-8-15-14/h13-15H,2-11H2,1H3
InChIKeyQXWNSAPQFZENLC-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4aS,7aS)-6-(2-methylidenebutyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683076
2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 60978434
1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
CID 115328459
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429
1-morpholin-4-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 60978297
(3S)-3-methyl-1-(2-methylidenebutyl)piperazine
CID 104977151
(4aS,7aR)-6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 124762075
1-(4-methylpentyl)-3-pyrrolidin-2-ylpiperidine
CID 83158375
1-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 65213918
1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine
CID 60979508
1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]butan-2-ol
CID 102682678
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
CID 54957761

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine (CID 66046701) is 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine is C=C(CC)CN1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is QXWNSAPQFZENLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-12(2)10-16-9-5-6-13(11-16)14-7-4-8-15-14/h13-15H,2-11H2,1H3.
What are the key properties of 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine?
1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 222.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 66046701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).