(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol

C17H28N2O — CID 97177449

IUPAC(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol
SMILESCCN[C@@H](CCO)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-18-16(11-13-20)17-10-6-7-12-19(17)14-15-8-4-3-5-9-15/h3-5,8-9,16-18,20H,2,6-7,10-14H2,1H3/t16-,17+/m0/s1
InChIKeyNCKSHUQDCDWBCF-DLBZAZTESA-N
MW276.42 g/mol
LogP2.40
Rot. Bonds7

About (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol

(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol (PubChem CID 97177449) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol
PubChem CID97177449
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol
SMILESCCN[C@@H](CCO)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-18-16(11-13-20)17-10-6-7-12-19(17)14-15-8-4-3-5-9-15/h3-5,8-9,16-18,20H,2,6-7,10-14H2,1H3/t16-,17+/m0/s1
InChIKeyNCKSHUQDCDWBCF-DLBZAZTESA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169769
benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97177443
3-(1-benzylpiperidin-3-yl)-3-(ethylamino)propan-1-ol
CID 71635336
2-amino-2-(1-benzylpiperidin-2-yl)ethanol
CID 83982295
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
2-(1-benzylpiperidin-2-yl)propan-1-amine
CID 82390227
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97177469
[(2R)-1-benzylpiperidin-2-yl]-hydroxymethanesulfonic acid;tungsten
CID 59075959
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
CID 11715624
3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol
CID 71647998
1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505393

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol?
The IUPAC name of (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol (CID 97177449) is (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol.
What is the SMILES notation for (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol?
The canonical SMILES for (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol is CCN[C@@H](CCO)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol?
The InChIKey is NCKSHUQDCDWBCF-DLBZAZTESA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-18-16(11-13-20)17-10-6-7-12-19(17)14-15-8-4-3-5-9-15/h3-5,8-9,16-18,20H,2,6-7,10-14H2,1H3/t16-,17+/m0/s1.
What are the key properties of (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol?
(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol is sourced from PubChem (CID 97177449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).