4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride

C10H16Cl2N2O — CID 67466094

IUPAC4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(C2NC=CC=C2Cl)CCNCC1
InChIInChI=1S/C10H15ClN2O.ClH/c11-8-2-1-5-13-9(8)10(14)3-6-12-7-4-10;/h1-2,5,9,12-14H,3-4,6-7H2;1H
InChIKeyWBIXIFBVTVWREP-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.13
Rot. Bonds1

About 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride

4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride (PubChem CID 67466094) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride
PubChem CID67466094
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(C2NC=CC=C2Cl)CCNCC1
InChIInChI=1S/C10H15ClN2O.ClH/c11-8-2-1-5-13-9(8)10(14)3-6-12-7-4-10;/h1-2,5,9,12-14H,3-4,6-7H2;1H
InChIKeyWBIXIFBVTVWREP-UHFFFAOYSA-N
XLogP1.13
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride?
The IUPAC name of 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride (CID 67466094) is 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride is Cl.OC1(C2NC=CC=C2Cl)CCNCC1.
What is the InChIKey of 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride?
The InChIKey is WBIXIFBVTVWREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O.ClH/c11-8-2-1-5-13-9(8)10(14)3-6-12-7-4-10;/h1-2,5,9,12-14H,3-4,6-7H2;1H.
What are the key properties of 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride?
4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride has a molecular weight of 251.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 67466094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).