1-(2-phenylethyl)-4-propan-2-ylpiperidine

C16H25N — CID 18683008

IUPAC1-(2-phenylethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H25N/c1-14(2)16-9-12-17(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeySXJWKHOCQANEIB-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-phenylethyl)-4-propan-2-ylpiperidine

1-(2-phenylethyl)-4-propan-2-ylpiperidine (PubChem CID 18683008) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-propan-2-ylpiperidine
PubChem CID18683008
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(2-phenylethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H25N/c1-14(2)16-9-12-17(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeySXJWKHOCQANEIB-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
1,4-bis(2-phenylethyl)piperidine
CID 86059939
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
CID 95130314
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(2-phenylethyl)-4-propan-2-ylpiperidine (CID 18683008) is 1-(2-phenylethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2-phenylethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(2-phenylethyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-4-propan-2-ylpiperidine?
The InChIKey is SXJWKHOCQANEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14(2)16-9-12-17(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of 1-(2-phenylethyl)-4-propan-2-ylpiperidine?
1-(2-phenylethyl)-4-propan-2-ylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 18683008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).