1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine

C15H28N2 — CID 18547041

IUPAC1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine
SMILESCC=C(CN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C15H28N2/c1-2-15(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h2H,3-14H2,1H3
InChIKeyOETLTCLNCNWNPN-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.90
Rot. Bonds4

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

1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine (PubChem CID 18547041) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine
PubChem CID18547041
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine
SMILESCC=C(CN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C15H28N2/c1-2-15(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h2H,3-14H2,1H3
InChIKeyOETLTCLNCNWNPN-UHFFFAOYSA-N
XLogP2.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-(3-methyl-but-2-enyl)-piperidinium
CID 12005585
1-[4-(1-Piperidinyl)-2-butenyl]piperidine
CID 1614692
1-(4-Piperidin-1-ylbut-2-enyl)piperidine
CID 409235
N-(3-methyl-2-butenyl)piperidine
CID 12231582
1-Methyl-1-(3-methylbut-2-en-1-yl)piperidinium
CID 1414349
1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-4-piperidin-1-ylpiperidine
CID 143279866
1-Ethyl-1-(3-methylbut-2-en-1-yl)piperidinium
CID 1387038
1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride
CID 54609225
1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine
CID 18547159
1-[2-(Piperidin-1-ylmethyl)prop-2-enyl]piperidine
CID 18547183
1-(2-Methylbut-2-enyl)piperidine
CID 57125221
1-[(E)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperidine
CID 70025170

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine?
The IUPAC name of 1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine (CID 18547041) is 1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine.
What is the SMILES notation for 1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine?
The canonical SMILES for 1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine is CC=C(CN1CCCCC1)CN1CCCCC1.
What is the InChIKey of 1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine?
The InChIKey is OETLTCLNCNWNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-15(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h2H,3-14H2,1H3.
What are the key properties of 1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine?
1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine has a molecular weight of 236.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidin-1-ylmethyl)but-2-enyl]piperidine is sourced from PubChem (CID 18547041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).