(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol

C17H27NO — CID 103960194

IUPAC(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
SMILESCCC1CCCN(c2ccccc2[C@H](O)CC)CC1
InChIInChI=1S/C17H27NO/c1-3-14-8-7-12-18(13-11-14)16-10-6-5-9-15(16)17(19)4-2/h5-6,9-10,14,17,19H,3-4,7-8,11-13H2,1-2H3/t14?,17-/m1/s1
InChIKeyYGGWEOCIHVXTPE-FBMWCMRBSA-N
MW261.41 g/mol
LogP4.15
Rot. Bonds4

About (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol

(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol (PubChem CID 103960194) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
PubChem CID103960194
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
SMILESCCC1CCCN(c2ccccc2[C@H](O)CC)CC1
InChIInChI=1S/C17H27NO/c1-3-14-8-7-12-18(13-11-14)16-10-6-5-9-15(16)17(19)4-2/h5-6,9-10,14,17,19H,3-4,7-8,11-13H2,1-2H3/t14?,17-/m1/s1
InChIKeyYGGWEOCIHVXTPE-FBMWCMRBSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678826
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103959883
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
CID 115995958
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 103960219

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol (CID 103960194) is (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol is CCC1CCCN(c2ccccc2[C@H](O)CC)CC1.
What is the InChIKey of (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol?
The InChIKey is YGGWEOCIHVXTPE-FBMWCMRBSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-8-7-12-18(13-11-14)16-10-6-5-9-15(16)17(19)4-2/h5-6,9-10,14,17,19H,3-4,7-8,11-13H2,1-2H3/t14?,17-/m1/s1.
What are the key properties of (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol?
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).