(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol

C16H23FN2O — CID 78940212

IUPAC(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C16H23FN2O/c1-12(20)16-14(17)3-2-4-15(16)19-9-7-18(8-10-19)11-13-5-6-13/h2-4,12-13,20H,5-11H2,1H3/t12-/m0/s1
InChIKeyCOCQPVNRZRPLCI-LBPRGKRZSA-N
MW278.37 g/mol
LogP2.41
Rot. Bonds4

About (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol

(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol (PubChem CID 78940212) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
PubChem CID78940212
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C16H23FN2O/c1-12(20)16-14(17)3-2-4-15(16)19-9-7-18(8-10-19)11-13-5-6-13/h2-4,12-13,20H,5-11H2,1H3/t12-/m0/s1
InChIKeyCOCQPVNRZRPLCI-LBPRGKRZSA-N
XLogP2.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 63371168
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
CID 78939436
ethyl 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877235
1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597980
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
CID 78939276
1-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 113356001

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol (CID 78940212) is (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol is C[C@H](O)c1c(F)cccc1N1CCN(CC2CC2)CC1.
What is the InChIKey of (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol?
The InChIKey is COCQPVNRZRPLCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(20)16-14(17)3-2-4-15(16)19-9-7-18(8-10-19)11-13-5-6-13/h2-4,12-13,20H,5-11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol?
(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol has a molecular weight of 278.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol is sourced from PubChem (CID 78940212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).