N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine

C31H40N2O — CID 158612319

IUPACN,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine
SMILESCCCCC(OCc1cccc(N2CCC(N(C)C)C(c3ccccc3)C2)c1)c1ccccc1
InChIInChI=1S/C31H40N2O/c1-4-5-19-31(27-16-10-7-11-17-27)34-24-25-13-12-18-28(22-25)33-21-20-30(32(2)3)29(23-33)26-14-8-6-9-15-26/h6-18,22,29-31H,4-5,19-21,23-24H2,1-3H3
InChIKeyHWZGWZRDXZMTQK-UHFFFAOYSA-N
MW456.67 g/mol
LogP7.06
Rot. Bonds10

About N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine

N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine (PubChem CID 158612319) has the molecular formula C31H40N2O and a molecular weight of 456.67 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine
PubChem CID158612319
Molecular FormulaC31H40N2O
Molecular Weight456.67 g/mol
Exact Mass456.31
IUPAC NameN,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine
SMILESCCCCC(OCc1cccc(N2CCC(N(C)C)C(c3ccccc3)C2)c1)c1ccccc1
InChIInChI=1S/C31H40N2O/c1-4-5-19-31(27-16-10-7-11-17-27)34-24-25-13-12-18-28(22-25)33-21-20-30(32(2)3)29(23-33)26-14-8-6-9-15-26/h6-18,22,29-31H,4-5,19-21,23-24H2,1-3H3
InChIKeyHWZGWZRDXZMTQK-UHFFFAOYSA-N
XLogP7.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-phenylamine
CID 10501178
3-(Biphenyl-3-yl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183175
(S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline
CID 44573464
3-(4-(3-(Bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-1-phenylpropyl acetate
CID 44580718
1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine
CID 164616454
1-phenyl-4-[2-[(2S,6R)-6-phenyloxan-2-yl]ethyl]piperazine
CID 164622226
Piperazine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenyl-
CID 71332336
(1-(4-(Dimethylamino)phenethyl)piperidin-4-yl)diphenylmethanol
CID 118322606
1-[8-(3-Phenylpropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-propylpiperazine
CID 132060356
1-[8-[(E)-3-phenylprop-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-propylpiperazine
CID 132060381
1-(8-Phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-propylpiperazine
CID 132060456
US11401270, Example 7
CID 142566927

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine (CID 158612319) is N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine is CCCCC(OCc1cccc(N2CCC(N(C)C)C(c3ccccc3)C2)c1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine?
The InChIKey is HWZGWZRDXZMTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O/c1-4-5-19-31(27-16-10-7-11-17-27)34-24-25-13-12-18-28(22-25)33-21-20-30(32(2)3)29(23-33)26-14-8-6-9-15-26/h6-18,22,29-31H,4-5,19-21,23-24H2,1-3H3.
What are the key properties of N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine?
N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine has a molecular weight of 456.67 g/mol, XLogP of 7.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-1-[3-(1-phenylpentoxymethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 158612319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).