4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine

C22H32N4O — CID 155717540

IUPAC4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCCCOCC1(CCCc2ccccc2)CCCN(c2ccnc(N)n2)C1
InChIInChI=1S/C22H32N4O/c1-2-16-27-18-22(12-6-10-19-8-4-3-5-9-19)13-7-15-26(17-22)20-11-14-24-21(23)25-20/h3-5,8-9,11,14H,2,6-7,10,12-13,15-18H2,1H3,(H2,23,24,25)
InChIKeySCHWAEOZEJPCOR-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.09
Rot. Bonds9

About 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine

4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 155717540) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID155717540
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCCCOCC1(CCCc2ccccc2)CCCN(c2ccnc(N)n2)C1
InChIInChI=1S/C22H32N4O/c1-2-16-27-18-22(12-6-10-19-8-4-3-5-9-19)13-7-15-26(17-22)20-11-14-24-21(23)25-20/h3-5,8-9,11,14H,2,6-7,10,12-13,15-18H2,1H3,(H2,23,24,25)
InChIKeySCHWAEOZEJPCOR-UHFFFAOYSA-N
XLogP4.09
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 56757600
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
CID 95228012
8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72922126
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
[(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95197853
[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 95208187
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
2-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56757377
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95226937
[(3R)-3-(3-phenylpropyl)-1-(7H-purin-6-yl)piperidin-3-yl]methanol
CID 95222493
1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110258311
(3S)-1-(2-methylsulfanylpyrimidin-4-yl)-3-(2-phenylethyl)piperidine-3-carboxylic acid
CID 95435764

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine (CID 155717540) is 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine is CCCOCC1(CCCc2ccccc2)CCCN(c2ccnc(N)n2)C1.
What is the InChIKey of 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is SCHWAEOZEJPCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-2-16-27-18-22(12-6-10-19-8-4-3-5-9-19)13-7-15-26(17-22)20-11-14-24-21(23)25-20/h3-5,8-9,11,14H,2,6-7,10,12-13,15-18H2,1H3,(H2,23,24,25).
What are the key properties of 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine?
4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 368.53 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 155717540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).