2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine

C19H32N4 — CID 111034877

IUPAC2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC1CCN(CCC/N=C(\N)Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C19H32N4/c1-15(2)17-6-4-7-18(14-17)22-19(20)21-10-5-11-23-12-8-16(3)9-13-23/h4,6-7,14-16H,5,8-13H2,1-3H3,(H3,20,21,22)
InChIKeyJBCQWVPLALNNMH-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.66
Rot. Bonds6

About 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine

2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111034877) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111034877
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC1CCN(CCC/N=C(\N)Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C19H32N4/c1-15(2)17-6-4-7-18(14-17)22-19(20)21-10-5-11-23-12-8-16(3)9-13-23/h4,6-7,14-16H,5,8-13H2,1-3H3,(H3,20,21,22)
InChIKeyJBCQWVPLALNNMH-UHFFFAOYSA-N
XLogP3.66
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine 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

2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111056700
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111065554
1-(3,4-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059687
2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110018620
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111065361
2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111048778
2-(5-methoxypentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111087608
2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine
CID 110032406
cyclopentyl 4-[[amino-(3-propan-2-ylanilino)methylidene]amino]butanoate
CID 111810898
2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111816054
2-(3-methylsulfonylpropyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111067197

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine (CID 111034877) is 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine is CC1CCN(CCC/N=C(\N)Nc2cccc(C(C)C)c2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is JBCQWVPLALNNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-15(2)17-6-4-7-18(14-17)22-19(20)21-10-5-11-23-12-8-16(3)9-13-23/h4,6-7,14-16H,5,8-13H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine?
2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 316.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111034877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).