N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine

C18H30N2 — CID 123727304

IUPACN-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(C(C)C)ccc1N1CCCCC1
InChIInChI=1S/C18H30N2/c1-14(2)16-8-9-18(20-10-6-5-7-11-20)17(12-16)13-19-15(3)4/h8-9,12,14-15,19H,5-7,10-11,13H2,1-4H3
InChIKeyZBDWNYQMUBGLJW-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.30
Rot. Bonds5

About N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine

N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine (PubChem CID 123727304) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine
PubChem CID123727304
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(C(C)C)ccc1N1CCCCC1
InChIInChI=1S/C18H30N2/c1-14(2)16-8-9-18(20-10-6-5-7-11-20)17(12-16)13-19-15(3)4/h8-9,12,14-15,19H,5-7,10-11,13H2,1-4H3
InChIKeyZBDWNYQMUBGLJW-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-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

N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
N-[[5-fluoro-2-(1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 61419095
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine
CID 177267332
N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 84750292
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81103994
(2-piperazin-1-yl-5-propan-2-ylphenyl)methanol
CID 138530373
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine (CID 123727304) is N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine is CC(C)NCc1cc(C(C)C)ccc1N1CCCCC1.
What is the InChIKey of N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine?
The InChIKey is ZBDWNYQMUBGLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)16-8-9-18(20-10-6-5-7-11-20)17(12-16)13-19-15(3)4/h8-9,12,14-15,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine?
N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 123727304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).