(1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol

C10H18ClNO — CID 95321486

IUPAC(1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol
SMILESC=C(Cl)CN1CCCC[C@@H]1[C@H](C)O
InChIInChI=1S/C10H18ClNO/c1-8(11)7-12-6-4-3-5-10(12)9(2)13/h9-10,13H,1,3-7H2,2H3/t9-,10+/m0/s1
InChIKeyDHORMPRNLNSCRW-VHSXEESVSA-N
MW203.71 g/mol
LogP1.97
Rot. Bonds3

About (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol

(1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol (PubChem CID 95321486) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol
PubChem CID95321486
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name(1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol
SMILESC=C(Cl)CN1CCCC[C@@H]1[C@H](C)O
InChIInChI=1S/C10H18ClNO/c1-8(11)7-12-6-4-3-5-10(12)9(2)13/h9-10,13H,1,3-7H2,2H3/t9-,10+/m0/s1
InChIKeyDHORMPRNLNSCRW-VHSXEESVSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-Bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 53599582
1-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 53599599
1-[2-Chloroprop-2-enyl(cyclohexyl)amino]propan-2-ol
CID 60263549
2-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 60346184
[1-(2-Chloroprop-2-enyl)piperidin-2-yl]methanol
CID 60685107
[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol
CID 61355740
1-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 72004407
1-[1-(2-Bromoprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 72004410
[1-(3-Chloroprop-2-enyl)piperidin-2-yl]methanol
CID 76898311
[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]methanol
CID 79173393
(1S)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321466
(1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321467

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol (CID 95321486) is (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol is C=C(Cl)CN1CCCC[C@@H]1[C@H](C)O.
What is the InChIKey of (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol?
The InChIKey is DHORMPRNLNSCRW-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(11)7-12-6-4-3-5-10(12)9(2)13/h9-10,13H,1,3-7H2,2H3/t9-,10+/m0/s1.
What are the key properties of (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol?
(1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol has a molecular weight of 203.71 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 95321486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).