1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol

C16H26N2O2 — CID 81409866

IUPAC1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COC1CCCCC1)c1ccncc1
InChIInChI=1S/C16H26N2O2/c1-13(14-7-9-17-10-8-14)18-11-15(19)12-20-16-5-3-2-4-6-16/h7-10,13,15-16,18-19H,2-6,11-12H2,1H3/t13-,15?/m1/s1
InChIKeyVANLMUVVZUMVCL-AFYYWNPRSA-N
MW278.40 g/mol
LogP2.44
Rot. Bonds7

About 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol

1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol (PubChem CID 81409866) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
PubChem CID81409866
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COC1CCCCC1)c1ccncc1
InChIInChI=1S/C16H26N2O2/c1-13(14-7-9-17-10-8-14)18-11-15(19)12-20-16-5-3-2-4-6-16/h7-10,13,15-16,18-19H,2-6,11-12H2,1H3/t13-,15?/m1/s1
InChIKeyVANLMUVVZUMVCL-AFYYWNPRSA-N
XLogP2.44
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81393883
1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404417
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
CID 61469543
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(2-butoxyethoxy)-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81395520
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 63867829
1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 60632771
1-cyclopentyloxy-3-(1-phenylpropylamino)propan-2-ol
CID 62306417
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol (CID 81409866) is 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol is C[C@@H](NCC(O)COC1CCCCC1)c1ccncc1.
What is the InChIKey of 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The InChIKey is VANLMUVVZUMVCL-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(14-7-9-17-10-8-14)18-11-15(19)12-20-16-5-3-2-4-6-16/h7-10,13,15-16,18-19H,2-6,11-12H2,1H3/t13-,15?/m1/s1.
What are the key properties of 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81409866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).