2-[(4R)-azepan-4-yl]ethanol

C8H17NO — CID 98601299

IUPAC2-[(4R)-azepan-4-yl]ethanol
SMILESOCC[C@@H]1CCCNCC1
InChIInChI=1S/C8H17NO/c10-7-4-8-2-1-5-9-6-3-8/h8-10H,1-7H2/t8-/m1/s1
InChIKeyMUOUCYOATBNGTO-MRVPVSSYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds2

About 2-[(4R)-azepan-4-yl]ethanol

2-[(4R)-azepan-4-yl]ethanol (PubChem CID 98601299) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[(4R)-azepan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4R)-azepan-4-yl]ethanol
PubChem CID98601299
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[(4R)-azepan-4-yl]ethanol
SMILESOCC[C@@H]1CCCNCC1
InChIInChI=1S/C8H17NO/c10-7-4-8-2-1-5-9-6-3-8/h8-10H,1-7H2/t8-/m1/s1
InChIKeyMUOUCYOATBNGTO-MRVPVSSYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-piperidin-4-ylpentan-1-ol
CID 20528701
piperidin-3-ylmethanol
CID 161361606
4-pent-4-ynylazepane
CID 130770981
4-[2-(azepan-4-yl)ethyl]phenol
CID 84685003
3,5-difluoroaniline;2-piperidin-4-ylethanol
CID 69483809
3-[(4R)-azepan-4-yl]-1,1,1-trifluoropropan-2-one
CID 58465003
2-(4-tritiocyclohexyl)ethanol
CID 171406976
2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115741583
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
4-(2-pyrrolidin-2-ylethyl)piperidine
CID 67721299
4-prop-2-ynylazepane
CID 83261379

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-azepan-4-yl]ethanol?
The IUPAC name of 2-[(4R)-azepan-4-yl]ethanol (CID 98601299) is 2-[(4R)-azepan-4-yl]ethanol.
What is the SMILES notation for 2-[(4R)-azepan-4-yl]ethanol?
The canonical SMILES for 2-[(4R)-azepan-4-yl]ethanol is OCC[C@@H]1CCCNCC1.
What is the InChIKey of 2-[(4R)-azepan-4-yl]ethanol?
The InChIKey is MUOUCYOATBNGTO-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO/c10-7-4-8-2-1-5-9-6-3-8/h8-10H,1-7H2/t8-/m1/s1.
What are the key properties of 2-[(4R)-azepan-4-yl]ethanol?
2-[(4R)-azepan-4-yl]ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-azepan-4-yl]ethanol is sourced from PubChem (CID 98601299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).