2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine

C23H36N3P — CID 145123756

IUPAC2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCN.NCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NP.C9H20N2/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-9-5-2-3-7-11(9)8-4-6-10/h1-10H,11-12,15H2;9H,2-8,10H2,1H3
InChIKeyAWRHDLPADJOMSK-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.29
Rot. Bonds7

About 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine

2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 145123756) has the molecular formula C23H36N3P and a molecular weight of 385.54 g/mol. Its IUPAC name is 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID145123756
Molecular FormulaC23H36N3P
Molecular Weight385.54 g/mol
Exact Mass385.26
IUPAC Name2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCN.NCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NP.C9H20N2/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-9-5-2-3-7-11(9)8-4-6-10/h1-10H,11-12,15H2;9H,2-8,10H2,1H3
InChIKeyAWRHDLPADJOMSK-UHFFFAOYSA-N
XLogP3.29
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride
CID 3051498
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
CID 55270241
3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride
CID 3051416

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine (CID 145123756) is 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine is CC1CCCCN1CCCN.NCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is AWRHDLPADJOMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NP.C9H20N2/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-9-5-2-3-7-11(9)8-4-6-10/h1-10H,11-12,15H2;9H,2-8,10H2,1H3.
What are the key properties of 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine?
2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 385.54 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 145123756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).