(3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol

C14H21NO — CID 129494667

IUPAC(3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol
SMILESC[C@@H](Cc1ccccc1)N1CCC[C@H](O)C1
InChIInChI=1S/C14H21NO/c1-12(10-13-6-3-2-4-7-13)15-9-5-8-14(16)11-15/h2-4,6-7,12,14,16H,5,8-11H2,1H3/t12-,14-/m0/s1
InChIKeyYWJVYHINTULTFB-JSGCOSHPSA-N
MW219.33 g/mol
LogP2.07
Rot. Bonds3

About (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol

(3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol (PubChem CID 129494667) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol
PubChem CID129494667
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol
SMILESC[C@@H](Cc1ccccc1)N1CCC[C@H](O)C1
InChIInChI=1S/C14H21NO/c1-12(10-13-6-3-2-4-7-13)15-9-5-8-14(16)11-15/h2-4,6-7,12,14,16H,5,8-11H2,1H3/t12-,14-/m0/s1
InChIKeyYWJVYHINTULTFB-JSGCOSHPSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-phenylpropan-2-yl]piperidin-4-ol
CID 129494382
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-(1-hydroxypropan-2-yl)piperidin-3-ol
CID 77452138
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
N-phenyl-N-[[(3R)-1-(1-phenylpropan-2-yl)piperidin-3-yl]methyl]acetamide
CID 59101548
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-(1-cyclopropylpropan-2-yl)piperidin-3-ol
CID 130652123
4-[2-[3-(dimethylamino)piperidin-1-yl]propyl]phenol
CID 82983896
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
2-[4-(1-phenylpropan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 65061746

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol (CID 129494667) is (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol is C[C@@H](Cc1ccccc1)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol?
The InChIKey is YWJVYHINTULTFB-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(10-13-6-3-2-4-7-13)15-9-5-8-14(16)11-15/h2-4,6-7,12,14,16H,5,8-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol?
(3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol is sourced from PubChem (CID 129494667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).