[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol

C14H22ClN3O — CID 114920398

IUPAC[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol
SMILESCN1CCC(CN(C)c2cc(CO)c(Cl)cn2)CC1
InChIInChI=1S/C14H22ClN3O/c1-17-5-3-11(4-6-17)9-18(2)14-7-12(10-19)13(15)8-16-14/h7-8,11,19H,3-6,9-10H2,1-2H3
InChIKeySPONBOACCIQQLM-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.01
Rot. Bonds4

About [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol

[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol (PubChem CID 114920398) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol
PubChem CID114920398
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol
SMILESCN1CCC(CN(C)c2cc(CO)c(Cl)cn2)CC1
InChIInChI=1S/C14H22ClN3O/c1-17-5-3-11(4-6-17)9-18(2)14-7-12(10-19)13(15)8-16-14/h7-8,11,19H,3-6,9-10H2,1-2H3
InChIKeySPONBOACCIQQLM-UHFFFAOYSA-N
XLogP2.01
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol with MolForge

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Related Compounds

[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920404
[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
CID 114920412
5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 114926517
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310
[5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol
CID 55172012
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236339
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80632585
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80951503
6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80936193

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol (CID 114920398) is [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol is CN1CCC(CN(C)c2cc(CO)c(Cl)cn2)CC1.
What is the InChIKey of [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol?
The InChIKey is SPONBOACCIQQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-17-5-3-11(4-6-17)9-18(2)14-7-12(10-19)13(15)8-16-14/h7-8,11,19H,3-6,9-10H2,1-2H3.
What are the key properties of [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol?
[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol has a molecular weight of 283.80 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol is sourced from PubChem (CID 114920398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).