N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine

C22H33N3 — CID 18001643

IUPACN-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine
SMILESCCCN1CCC(N)CC1.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C8H18N2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2-5-10-6-3-8(9)4-7-10/h1-10,15H,11-12H2;8H,2-7,9H2,1H3
InChIKeyGFEDHKVSVGSEQM-UHFFFAOYSA-N
MW339.53 g/mol
LogP3.80
Rot. Bonds6

About N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine

N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine (PubChem CID 18001643) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine
PubChem CID18001643
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC NameN-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine
SMILESCCCN1CCC(N)CC1.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C8H18N2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2-5-10-6-3-8(9)4-7-10/h1-10,15H,11-12H2;8H,2-7,9H2,1H3
InChIKeyGFEDHKVSVGSEQM-UHFFFAOYSA-N
XLogP3.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-benzyl-1-propylpiperidin-4-amine
CID 124748447
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
CID 53211570
N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine
CID 91098834
bis(N-benzyl-1-phenylmethanamine);bis(1-butylpiperidin-4-one)
CID 70278202
N-benzyl-2-(1-dodecylpiperidin-4-yl)-2-methylpropan-1-amine
CID 11004231
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
1-[3-(dibenzylamino)propyl]piperidin-4-amine
CID 18403417
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine
CID 62560982
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine?
The IUPAC name of N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine (CID 18001643) is N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine?
The canonical SMILES for N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine is CCCN1CCC(N)CC1.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine?
The InChIKey is GFEDHKVSVGSEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C8H18N2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2-5-10-6-3-8(9)4-7-10/h1-10,15H,11-12H2;8H,2-7,9H2,1H3.
What are the key properties of N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine?
N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine has a molecular weight of 339.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine is sourced from PubChem (CID 18001643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).