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

C23H31ClN4O — CID 58127255

IUPAC4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol
SMILESNCC1CCN(c2cccc(-c3cc(CC4CCC(O)CC4)ncc3Cl)n2)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(27-22)28-10-8-17(14-25)9-11-28/h1-3,13,15-17,19,29H,4-12,14,25H2
InChIKeyMKKAIKWSBISKDS-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.07
Rot. Bonds5

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

4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol (PubChem CID 58127255) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is 4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol
PubChem CID58127255
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC Name4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol
SMILESNCC1CCN(c2cccc(-c3cc(CC4CCC(O)CC4)ncc3Cl)n2)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(27-22)28-10-8-17(14-25)9-11-28/h1-3,13,15-17,19,29H,4-12,14,25H2
InChIKeyMKKAIKWSBISKDS-UHFFFAOYSA-N
XLogP4.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

4-[[5-chloro-4-[6-(piperidin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127148
4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127078
1-[6-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-ol
CID 70795335
4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127174
2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 58284665
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxan-4-ol
CID 161020079
6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127379
6-[5-chloro-2-[(1-ethylsulfonylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127051
6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 123952156
4-[[[6-[5-chloro-2-[(4-morpholin-4-ylcyclohexyl)methyl]-4-pyridinyl]-2-pyridinyl]amino]methyl]oxane-4-carbonitrile
CID 158300979
6-[2-[[(1R,3R)-3-aminocyclopentyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127344
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane
CID 162043335

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol (CID 58127255) is 4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol is NCC1CCN(c2cccc(-c3cc(CC4CCC(O)CC4)ncc3Cl)n2)CC1.
What is the InChIKey of 4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol?
The InChIKey is MKKAIKWSBISKDS-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(27-22)28-10-8-17(14-25)9-11-28/h1-3,13,15-17,19,29H,4-12,14,25H2.
What are the key properties of 4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol?
4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol has a molecular weight of 414.98 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-5-chloro-2-pyridinyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 58127255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).