(1S)-1-piperidin-4-ylethanol;hydrochloride

C7H16ClNO — CID 134690890

IUPAC(1S)-1-piperidin-4-ylethanol;hydrochloride
SMILESC[C@H](O)C1CCNCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(9)7-2-4-8-5-3-7;/h6-9H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyVZWZDSNQJWQRNJ-RGMNGODLSA-N
MW165.66 g/mol
LogP0.79
Rot. Bonds1

About (1S)-1-piperidin-4-ylethanol;hydrochloride

(1S)-1-piperidin-4-ylethanol;hydrochloride (PubChem CID 134690890) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (1S)-1-piperidin-4-ylethanol;hydrochloride.

Molecular Properties

Compound Name(1S)-1-piperidin-4-ylethanol;hydrochloride
PubChem CID134690890
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(1S)-1-piperidin-4-ylethanol;hydrochloride
SMILESC[C@H](O)C1CCNCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(9)7-2-4-8-5-3-7;/h6-9H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyVZWZDSNQJWQRNJ-RGMNGODLSA-N
XLogP0.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-piperidin-4-ylethanol;hydrochloride?
The IUPAC name of (1S)-1-piperidin-4-ylethanol;hydrochloride (CID 134690890) is (1S)-1-piperidin-4-ylethanol;hydrochloride.
What is the SMILES notation for (1S)-1-piperidin-4-ylethanol;hydrochloride?
The canonical SMILES for (1S)-1-piperidin-4-ylethanol;hydrochloride is C[C@H](O)C1CCNCC1.Cl.
What is the InChIKey of (1S)-1-piperidin-4-ylethanol;hydrochloride?
The InChIKey is VZWZDSNQJWQRNJ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-6(9)7-2-4-8-5-3-7;/h6-9H,2-5H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-piperidin-4-ylethanol;hydrochloride?
(1S)-1-piperidin-4-ylethanol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-piperidin-4-ylethanol;hydrochloride is sourced from PubChem (CID 134690890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).