1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine

C10H19N — CID 18685014

IUPAC1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCN(C)CC1C
InChIInChI=1S/C10H19N/c1-4-5-10-6-7-11(3)8-9(10)2/h4-5,9-10H,6-8H2,1-3H3/b5-4+
InChIKeyMJRLNDDYTBVYKJ-SNAWJCMRSA-N
MW153.27 g/mol
LogP2.15
Rot. Bonds1

About 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine

1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine (PubChem CID 18685014) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine
PubChem CID18685014
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCN(C)CC1C
InChIInChI=1S/C10H19N/c1-4-5-10-6-7-11(3)8-9(10)2/h4-5,9-10H,6-8H2,1-3H3/b5-4+
InChIKeyMJRLNDDYTBVYKJ-SNAWJCMRSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine?
The IUPAC name of 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine (CID 18685014) is 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine.
What is the SMILES notation for 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine?
The canonical SMILES for 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine is C/C=C/C1CCN(C)CC1C.
What is the InChIKey of 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine?
The InChIKey is MJRLNDDYTBVYKJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19N/c1-4-5-10-6-7-11(3)8-9(10)2/h4-5,9-10H,6-8H2,1-3H3/b5-4+.
What are the key properties of 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine?
1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine has a molecular weight of 153.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(E)-prop-1-enyl]piperidine is sourced from PubChem (CID 18685014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).