1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine

C21H35N3 — CID 119165057

IUPAC1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
SMILESCC(C)N1CCC(NC2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H35N3/c1-18(2)24-16-11-21(12-17-24)22-20-9-14-23(15-10-20)13-8-19-6-4-3-5-7-19/h3-7,18,20-22H,8-17H2,1-2H3
InChIKeyZYVOTMMOQMENEG-UHFFFAOYSA-N
MW329.53 g/mol
LogP3.16
Rot. Bonds6

About 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine

1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine (PubChem CID 119165057) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
PubChem CID119165057
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
SMILESCC(C)N1CCC(NC2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H35N3/c1-18(2)24-16-11-21(12-17-24)22-20-9-14-23(15-10-20)13-8-19-6-4-3-5-7-19/h3-7,18,20-22H,8-17H2,1-2H3
InChIKeyZYVOTMMOQMENEG-UHFFFAOYSA-N
XLogP3.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
CID 119165252
N-ethenyl-1-(2-phenylethyl)piperidin-4-amine
CID 166738231

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine (CID 119165057) is 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine is CC(C)N1CCC(NC2CCN(CCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is ZYVOTMMOQMENEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3/c1-18(2)24-16-11-21(12-17-24)22-20-9-14-23(15-10-20)13-8-19-6-4-3-5-7-19/h3-7,18,20-22H,8-17H2,1-2H3.
What are the key properties of 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine?
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 329.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 119165057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).