1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine

C14H26N2 — CID 18547159

IUPAC1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine
SMILESC/C=C(/CN1CCCCC1)CN1CCCC1
InChIInChI=1S/C14H26N2/c1-2-14(13-16-10-6-7-11-16)12-15-8-4-3-5-9-15/h2H,3-13H2,1H3/b14-2-
InChIKeyYYUQNOZSFGMZRV-VVHNFQOZSA-N
MW222.38 g/mol
LogP2.51
Rot. Bonds4

About 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine

1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine (PubChem CID 18547159) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine
PubChem CID18547159
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine
SMILESC/C=C(/CN1CCCCC1)CN1CCCC1
InChIInChI=1S/C14H26N2/c1-2-14(13-16-10-6-7-11-16)12-15-8-4-3-5-9-15/h2H,3-13H2,1H3/b14-2-
InChIKeyYYUQNOZSFGMZRV-VVHNFQOZSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine?
The IUPAC name of 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine (CID 18547159) is 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine.
What is the SMILES notation for 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine?
The canonical SMILES for 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine is C/C=C(/CN1CCCCC1)CN1CCCC1.
What is the InChIKey of 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine?
The InChIKey is YYUQNOZSFGMZRV-VVHNFQOZSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-14(13-16-10-6-7-11-16)12-15-8-4-3-5-9-15/h2H,3-13H2,1H3/b14-2-.
What are the key properties of 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine?
1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine has a molecular weight of 222.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine is sourced from PubChem (CID 18547159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).