1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride

C15H21ClN2O — CID 174310295

IUPAC1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride
SMILESCl.O=CC1(NC2(c3ccccc3)CCNCC2)CC1
InChIInChI=1S/C15H20N2O.ClH/c18-12-14(6-7-14)17-15(8-10-16-11-9-15)13-4-2-1-3-5-13;/h1-5,12,16-17H,6-11H2;1H
InChIKeyIFCGLNOREXMGAF-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.01
Rot. Bonds4

About 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride

1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride (PubChem CID 174310295) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride
PubChem CID174310295
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride
SMILESCl.O=CC1(NC2(c3ccccc3)CCNCC2)CC1
InChIInChI=1S/C15H20N2O.ClH/c18-12-14(6-7-14)17-15(8-10-16-11-9-15)13-4-2-1-3-5-13;/h1-5,12,16-17H,6-11H2;1H
InChIKeyIFCGLNOREXMGAF-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-4-phenylpiperidin-4-amine
CID 142022030
N,4-diphenylpiperidin-4-amine
CID 15075648
1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde
CID 174309870
2-[(4-phenylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde
CID 144829093
4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride
CID 142638824
4-ethyl-4-phenylpiperidine;formamide
CID 143792302
N-(1-phenylcyclobutyl)formamide
CID 110477150
N-(1-phenylcyclobutyl)piperidine-4-carboxamide
CID 110482320
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
ethane;4-methyl-4-phenylpiperidine
CID 91476557
N-(4-formylpiperidin-4-yl)formamide
CID 154599912
N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]ethanamine
CID 63155191

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride?
The IUPAC name of 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride (CID 174310295) is 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride.
What is the SMILES notation for 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride?
The canonical SMILES for 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride is Cl.O=CC1(NC2(c3ccccc3)CCNCC2)CC1.
What is the InChIKey of 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride?
The InChIKey is IFCGLNOREXMGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c18-12-14(6-7-14)17-15(8-10-16-11-9-15)13-4-2-1-3-5-13;/h1-5,12,16-17H,6-11H2;1H.
What are the key properties of 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride?
1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride is sourced from PubChem (CID 174310295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).