N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine

C19H28N4 — CID 45168889

IUPACN-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
SMILESCc1cnc(CNC2CCCN(CCCc3ccccc3)C2)[nH]1
InChIInChI=1S/C19H28N4/c1-16-13-21-19(22-16)14-20-18-10-6-12-23(15-18)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,18,20H,5-6,9-12,14-15H2,1H3,(H,21,22)
InChIKeyPBYXGHXSIFMILC-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.90
Rot. Bonds7

About N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine

N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine (PubChem CID 45168889) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
PubChem CID45168889
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
SMILESCc1cnc(CNC2CCCN(CCCc3ccccc3)C2)[nH]1
InChIInChI=1S/C19H28N4/c1-16-13-21-19(22-16)14-20-18-10-6-12-23(15-18)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,18,20H,5-6,9-12,14-15H2,1H3,(H,21,22)
InChIKeyPBYXGHXSIFMILC-UHFFFAOYSA-N
XLogP2.90
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45244892
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole
CID 110104616
N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine
CID 45222723
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 70779671
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
N-benzyl-1-(2-chloroethyl)piperidin-3-amine
CID 131162483
2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide
CID 30674042
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 136917886

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine (CID 45168889) is N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine is Cc1cnc(CNC2CCCN(CCCc3ccccc3)C2)[nH]1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
The InChIKey is PBYXGHXSIFMILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-16-13-21-19(22-16)14-20-18-10-6-12-23(15-18)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,18,20H,5-6,9-12,14-15H2,1H3,(H,21,22).
What are the key properties of N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine has a molecular weight of 312.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine is sourced from PubChem (CID 45168889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).