1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine

C18H36N2O — CID 170569438

IUPAC1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)OCCCC1CCN(CCC2CCNCC2)CC1
InChIInChI=1S/C18H36N2O/c1-16(2)21-15-3-4-17-7-12-20(13-8-17)14-9-18-5-10-19-11-6-18/h16-19H,3-15H2,1-2H3
InChIKeyPCUIJHKXOIQWIL-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds8

About 1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine

1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine (PubChem CID 170569438) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine.

Molecular Properties

Compound Name1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine
PubChem CID170569438
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)OCCCC1CCN(CCC2CCNCC2)CC1
InChIInChI=1S/C18H36N2O/c1-16(2)21-15-3-4-17-7-12-20(13-8-17)14-9-18-5-10-19-11-6-18/h16-19H,3-15H2,1-2H3
InChIKeyPCUIJHKXOIQWIL-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
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-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine?
The IUPAC name of 1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine (CID 170569438) is 1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine.
What is the SMILES notation for 1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine?
The canonical SMILES for 1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine is CC(C)OCCCC1CCN(CCC2CCNCC2)CC1.
What is the InChIKey of 1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine?
The InChIKey is PCUIJHKXOIQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16(2)21-15-3-4-17-7-12-20(13-8-17)14-9-18-5-10-19-11-6-18/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine?
1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine is sourced from PubChem (CID 170569438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).