1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride

C15H24Cl2N2O — CID 138397800

IUPAC1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride
SMILESCl.Cl.NCCCN1CCC(C=O)(c2ccccc2)CC1
InChIInChI=1S/C15H22N2O.2ClH/c16-9-4-10-17-11-7-15(13-18,8-12-17)14-5-2-1-3-6-14;;/h1-3,5-6,13H,4,7-12,16H2;2*1H
InChIKeyQDHUQMPIRLHXNS-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.41
Rot. Bonds5

About 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride

1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride (PubChem CID 138397800) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride.

Molecular Properties

Compound Name1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride
PubChem CID138397800
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride
SMILESCl.Cl.NCCCN1CCC(C=O)(c2ccccc2)CC1
InChIInChI=1S/C15H22N2O.2ClH/c16-9-4-10-17-11-7-15(13-18,8-12-17)14-5-2-1-3-6-14;;/h1-3,5-6,13H,4,7-12,16H2;2*1H
InChIKeyQDHUQMPIRLHXNS-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride?
The IUPAC name of 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride (CID 138397800) is 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride.
What is the SMILES notation for 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride?
The canonical SMILES for 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride is Cl.Cl.NCCCN1CCC(C=O)(c2ccccc2)CC1.
What is the InChIKey of 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride?
The InChIKey is QDHUQMPIRLHXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.2ClH/c16-9-4-10-17-11-7-15(13-18,8-12-17)14-5-2-1-3-6-14;;/h1-3,5-6,13H,4,7-12,16H2;2*1H.
What are the key properties of 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride?
1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride has a molecular weight of 319.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride is sourced from PubChem (CID 138397800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).