(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol

C15H21FN2O — CID 92568648

IUPAC(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1NC1CC1
InChIInChI=1S/C15H21FN2O/c16-12-3-1-2-11(8-12)9-18-7-6-14(15(19)10-18)17-13-4-5-13/h1-3,8,13-15,17,19H,4-7,9-10H2/t14-,15-/m1/s1
InChIKeyPJIQZHAXHBEMPI-HUUCEWRRSA-N
MW264.34 g/mol
LogP1.51
Rot. Bonds4

About (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol

(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol (PubChem CID 92568648) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol
PubChem CID92568648
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1NC1CC1
InChIInChI=1S/C15H21FN2O/c16-12-3-1-2-11(8-12)9-18-7-6-14(15(19)10-18)17-13-4-5-13/h1-3,8,13-15,17,19H,4-7,9-10H2/t14-,15-/m1/s1
InChIKeyPJIQZHAXHBEMPI-HUUCEWRRSA-N
XLogP1.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-[(3-fluorophenyl)methyl]-4-(2-hydroxyethylamino)piperidin-3-ol;dihydrochloride
CID 175654370
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 54975188
N,3-diethyl-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 114507392
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
(3R,4R)-1-[(4-fluorophenyl)methyl]-4-(2-hydroxyethylamino)piperidin-3-ol
CID 46953227
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854996
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol (CID 92568648) is (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol is O[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1NC1CC1.
What is the InChIKey of (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol?
The InChIKey is PJIQZHAXHBEMPI-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-12-3-1-2-11(8-12)9-18-7-6-14(15(19)10-18)17-13-4-5-13/h1-3,8,13-15,17,19H,4-7,9-10H2/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol?
(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol has a molecular weight of 264.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 92568648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).