(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol

C17H28N2O — CID 103783988

IUPAC(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
SMILESCC(C)CN1CCC(N[C@H](CO)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)12-19-10-8-16(9-11-19)18-17(13-20)15-6-4-3-5-7-15/h3-7,14,16-18,20H,8-13H2,1-2H3/t17-/m1/s1
InChIKeyMFDPGYPWRAUAAT-QGZVFWFLSA-N
MW276.42 g/mol
LogP2.43
Rot. Bonds6

About (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol

(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol (PubChem CID 103783988) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
PubChem CID103783988
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
SMILESCC(C)CN1CCC(N[C@H](CO)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)12-19-10-8-16(9-11-19)18-17(13-20)15-6-4-3-5-7-15/h3-7,14,16-18,20H,8-13H2,1-2H3/t17-/m1/s1
InChIKeyMFDPGYPWRAUAAT-QGZVFWFLSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103784052
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol
CID 68776969
(2R)-2-[(1,2-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 103788675
[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
CID 97336840
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol (CID 103783988) is (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol is CC(C)CN1CCC(N[C@H](CO)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol?
The InChIKey is MFDPGYPWRAUAAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)12-19-10-8-16(9-11-19)18-17(13-20)15-6-4-3-5-7-15/h3-7,14,16-18,20H,8-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol?
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol has a molecular weight of 276.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol is sourced from PubChem (CID 103783988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).