(2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol

C24H29ClF3N3O2 — CID 10116894

IUPAC(2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol
SMILESO[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1c(Cl)ccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H29ClF3N3O2/c25-19-5-6-21-22(18-3-1-2-4-20(18)30-21)23(19)33-15-17(32)14-29-13-16-7-10-31(11-8-16)12-9-24(26,27)28/h1-6,16-17,29-30,32H,7-15H2/t17-/m0/s1
InChIKeyAJJICAGQACLBDQ-KRWDZBQOSA-N
MW483.96 g/mol
LogP4.97
Rot. Bonds9

About (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol

(2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol (PubChem CID 10116894) has the molecular formula C24H29ClF3N3O2 and a molecular weight of 483.96 g/mol. Its IUPAC name is (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol
PubChem CID10116894
Molecular FormulaC24H29ClF3N3O2
Molecular Weight483.96 g/mol
Exact Mass483.19
IUPAC Name(2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol
SMILESO[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1c(Cl)ccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H29ClF3N3O2/c25-19-5-6-21-22(18-3-1-2-4-20(18)30-21)23(19)33-15-17(32)14-29-13-16-7-10-31(11-8-16)12-9-24(26,27)28/h1-6,16-17,29-30,32H,7-15H2/t17-/m0/s1
InChIKeyAJJICAGQACLBDQ-KRWDZBQOSA-N
XLogP4.97
TPSA60.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol (CID 10116894) is (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol is O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1c(Cl)ccc2[nH]c3ccccc3c12.
What is the InChIKey of (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol?
The InChIKey is AJJICAGQACLBDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29ClF3N3O2/c25-19-5-6-21-22(18-3-1-2-4-20(18)30-21)23(19)33-15-17(32)14-29-13-16-7-10-31(11-8-16)12-9-24(26,27)28/h1-6,16-17,29-30,32H,7-15H2/t17-/m0/s1.
What are the key properties of (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol?
(2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol has a molecular weight of 483.96 g/mol, XLogP of 4.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-chloro-9H-carbazol-4-yl)oxy]-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 10116894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).