4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol

C23H31ClN4O — CID 58127148

IUPAC4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2cc(-c3cccc(NCC4CCNCC4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C23H31ClN4O/c24-21-15-26-18(12-16-4-6-19(29)7-5-16)13-20(21)22-2-1-3-23(28-22)27-14-17-8-10-25-11-9-17/h1-3,13,15-17,19,25,29H,4-12,14H2,(H,27,28)
InChIKeyREFALMFUZQBHPN-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.30
Rot. Bonds6

About 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol

4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol (PubChem CID 58127148) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
PubChem CID58127148
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC Name4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2cc(-c3cccc(NCC4CCNCC4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C23H31ClN4O/c24-21-15-26-18(12-16-4-6-19(29)7-5-16)13-20(21)22-2-1-3-23(28-22)27-14-17-8-10-25-11-9-17/h1-3,13,15-17,19,25,29H,4-12,14H2,(H,27,28)
InChIKeyREFALMFUZQBHPN-UHFFFAOYSA-N
XLogP4.30
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127078
4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127174
(2R)-3-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 58127082
6-[5-chloro-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127168
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 58127337
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxan-4-ol
CID 161020079
6-[5-chloro-2-[[4-(methoxymethyl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127331
4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127255
6-[5-chloro-2-[2-[(2R)-pyrrolidin-2-yl]ethyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127422
6-[5-chloro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]methyl]-4-pyridinyl]-N-[(2,2-dimethyloxan-4-yl)methyl]pyridin-2-amine
CID 58127214
6-[2-[[(1R,3R)-3-aminocyclopentyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127344
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-pyridin-3-ylethanone
CID 58284797

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol (CID 58127148) is 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol is OC1CCC(Cc2cc(-c3cccc(NCC4CCNCC4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
The InChIKey is REFALMFUZQBHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O/c24-21-15-26-18(12-16-4-6-19(29)7-5-16)13-20(21)22-2-1-3-23(28-22)27-14-17-8-10-25-11-9-17/h1-3,13,15-17,19,25,29H,4-12,14H2,(H,27,28).
What are the key properties of 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol?
4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol has a molecular weight of 414.98 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 58127148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).