4,4-dimethyl-1-prop-2-ynylpiperidine

C10H17N — CID 18723215

IUPAC4,4-dimethyl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(C)(C)CC1
InChIInChI=1S/C10H17N/c1-4-7-11-8-5-10(2,3)6-9-11/h1H,5-9H2,2-3H3
InChIKeyVTTSYCSMXOZFGP-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.74
Rot. Bonds1

About 4,4-dimethyl-1-prop-2-ynylpiperidine

4,4-dimethyl-1-prop-2-ynylpiperidine (PubChem CID 18723215) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4,4-dimethyl-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-prop-2-ynylpiperidine
PubChem CID18723215
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4,4-dimethyl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(C)(C)CC1
InChIInChI=1S/C10H17N/c1-4-7-11-8-5-10(2,3)6-9-11/h1H,5-9H2,2-3H3
InChIKeyVTTSYCSMXOZFGP-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-prop-2-ynylpiperidine?
The IUPAC name of 4,4-dimethyl-1-prop-2-ynylpiperidine (CID 18723215) is 4,4-dimethyl-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4,4-dimethyl-1-prop-2-ynylpiperidine?
The canonical SMILES for 4,4-dimethyl-1-prop-2-ynylpiperidine is C#CCN1CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-prop-2-ynylpiperidine?
The InChIKey is VTTSYCSMXOZFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-7-11-8-5-10(2,3)6-9-11/h1H,5-9H2,2-3H3.
What are the key properties of 4,4-dimethyl-1-prop-2-ynylpiperidine?
4,4-dimethyl-1-prop-2-ynylpiperidine has a molecular weight of 151.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-prop-2-ynylpiperidine is sourced from PubChem (CID 18723215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).