1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine

C24H38N2O — CID 11978859

IUPAC1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
SMILESc1cc(C2CCC(N3CCCC3)CC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2
InChIKeyIIGOTHGDDVVXRO-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.06
Rot. Bonds7

About 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine

1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine (PubChem CID 11978859) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
PubChem CID11978859
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
SMILESc1cc(C2CCC(N3CCCC3)CC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2
InChIKeyIIGOTHGDDVVXRO-UHFFFAOYSA-N
XLogP5.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine (CID 11978859) is 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine is c1cc(C2CCC(N3CCCC3)CC2)ccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine?
The InChIKey is IIGOTHGDDVVXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2.
What are the key properties of 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine?
1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine has a molecular weight of 370.58 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-pyrrolidin-1-ylcyclohexyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 11978859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).