1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine

C19H29ClN2O — CID 44563702

IUPAC1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine
SMILESClc1ccc(OCCCN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29ClN2O/c20-17-5-7-19(8-6-17)23-16-4-11-21-14-9-18(10-15-21)22-12-2-1-3-13-22/h5-8,18H,1-4,9-16H2
InChIKeyJWKNEQZAJBYDST-UHFFFAOYSA-N
MW336.91 g/mol
LogP4.06
Rot. Bonds6

About 1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine

1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine (PubChem CID 44563702) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine
PubChem CID44563702
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine
SMILESClc1ccc(OCCCN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29ClN2O/c20-17-5-7-19(8-6-17)23-16-4-11-21-14-9-18(10-15-21)22-12-2-1-3-13-22/h5-8,18H,1-4,9-16H2
InChIKeyJWKNEQZAJBYDST-UHFFFAOYSA-N
XLogP4.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 54.06
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-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine (CID 44563702) is 1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine is Clc1ccc(OCCCN2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine?
The InChIKey is JWKNEQZAJBYDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c20-17-5-7-19(8-6-17)23-16-4-11-21-14-9-18(10-15-21)22-12-2-1-3-13-22/h5-8,18H,1-4,9-16H2.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine?
1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine has a molecular weight of 336.91 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 44563702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).