ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine

C14H29N — CID 166535515

IUPACethane;1-(2-methylprop-2-enyl)-4-propylpiperidine
SMILESC=C(C)CN1CCC(CCC)CC1.CC
InChIInChI=1S/C12H23N.C2H6/c1-4-5-12-6-8-13(9-7-12)10-11(2)3;1-2/h12H,2,4-10H2,1,3H3;1-2H3
InChIKeyQUDUJBJCKVPZQS-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.10
Rot. Bonds4

About ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine

ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine (PubChem CID 166535515) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine.

Molecular Properties

Compound Nameethane;1-(2-methylprop-2-enyl)-4-propylpiperidine
PubChem CID166535515
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Nameethane;1-(2-methylprop-2-enyl)-4-propylpiperidine
SMILESC=C(C)CN1CCC(CCC)CC1.CC
InChIInChI=1S/C12H23N.C2H6/c1-4-5-12-6-8-13(9-7-12)10-11(2)3;1-2/h12H,2,4-10H2,1,3H3;1-2H3
InChIKeyQUDUJBJCKVPZQS-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.10
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 ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine?
The IUPAC name of ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine (CID 166535515) is ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine.
What is the SMILES notation for ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine?
The canonical SMILES for ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine is C=C(C)CN1CCC(CCC)CC1.CC.
What is the InChIKey of ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine?
The InChIKey is QUDUJBJCKVPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C2H6/c1-4-5-12-6-8-13(9-7-12)10-11(2)3;1-2/h12H,2,4-10H2,1,3H3;1-2H3.
What are the key properties of ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine?
ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine is sourced from PubChem (CID 166535515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).