1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine

C14H26N2 — CID 135265322

IUPAC1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine
SMILESC/C=C/C1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C14H26N2/c1-3-4-13-5-11-16(12-6-13)14-7-9-15(2)10-8-14/h3-4,13-14H,5-12H2,1-2H3/b4-3+
InChIKeyRBCJTUZSRWKHSI-ONEGZZNKSA-N
MW222.38 g/mol
LogP2.37
Rot. Bonds2

About 1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine

1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine (PubChem CID 135265322) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine
PubChem CID135265322
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine
SMILESC/C=C/C1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C14H26N2/c1-3-4-13-5-11-16(12-6-13)14-7-9-15(2)10-8-14/h3-4,13-14H,5-12H2,1-2H3/b4-3+
InChIKeyRBCJTUZSRWKHSI-ONEGZZNKSA-N
XLogP2.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.37
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-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine?
The IUPAC name of 1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine (CID 135265322) is 1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine?
The canonical SMILES for 1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine is C/C=C/C1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine?
The InChIKey is RBCJTUZSRWKHSI-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-4-13-5-11-16(12-6-13)14-7-9-15(2)10-8-14/h3-4,13-14H,5-12H2,1-2H3/b4-3+.
What are the key properties of 1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine?
1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine has a molecular weight of 222.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(E)-prop-1-enyl]piperidin-1-yl]piperidine is sourced from PubChem (CID 135265322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).