1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol

C14H21Cl2N3O — CID 56916014

IUPAC1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)CC1(O)CCCN(Cc2c(Cl)cncc2Cl)C1
InChIInChI=1S/C14H21Cl2N3O/c1-18(2)9-14(20)4-3-5-19(10-14)8-11-12(15)6-17-7-13(11)16/h6-7,20H,3-5,8-10H2,1-2H3
InChIKeyZRAWOLOUKIZGAL-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.28
Rot. Bonds4

About 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol

1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol (PubChem CID 56916014) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
PubChem CID56916014
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)CC1(O)CCCN(Cc2c(Cl)cncc2Cl)C1
InChIInChI=1S/C14H21Cl2N3O/c1-18(2)9-14(20)4-3-5-19(10-14)8-11-12(15)6-17-7-13(11)16/h6-7,20H,3-5,8-10H2,1-2H3
InChIKeyZRAWOLOUKIZGAL-UHFFFAOYSA-N
XLogP2.28
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol (CID 56916014) is 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol is CN(C)CC1(O)CCCN(Cc2c(Cl)cncc2Cl)C1.
What is the InChIKey of 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The InChIKey is ZRAWOLOUKIZGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-18(2)9-14(20)4-3-5-19(10-14)8-11-12(15)6-17-7-13(11)16/h6-7,20H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol has a molecular weight of 318.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol is sourced from PubChem (CID 56916014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).