1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol

C13H20N2O2 — CID 114952353

IUPAC1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(CO)ccn1
InChIInChI=1S/C13H20N2O2/c1-15(10-13(17)5-2-3-6-13)12-8-11(9-16)4-7-14-12/h4,7-8,16-17H,2-3,5-6,9-10H2,1H3
InChIKeyOMOHUCYODSDHEE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds4

About 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol

1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114952353) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114952353
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(CO)ccn1
InChIInChI=1S/C13H20N2O2/c1-15(10-13(17)5-2-3-6-13)12-8-11(9-16)4-7-14-12/h4,7-8,16-17H,2-3,5-6,9-10H2,1H3
InChIKeyOMOHUCYODSDHEE-UHFFFAOYSA-N
XLogP1.32
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114947474
[2-(dimethylamino)-4-pyridinyl]methanol
CID 22625066
[2-[2-(dimethylamino)ethyl-methylamino]-4-pyridinyl]methanol
CID 63698708
[2-[cyclohexylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 54949087
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
[2-[butyl(methyl)amino]-4-pyridinyl]methanol
CID 61254738
[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
CID 63864667
1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 107542282
[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 61442010
[2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol
CID 63711407
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426710
1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 114950640

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (CID 114952353) is 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1cc(CO)ccn1.
What is the InChIKey of 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is OMOHUCYODSDHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(10-13(17)5-2-3-6-13)12-8-11(9-16)4-7-14-12/h4,7-8,16-17H,2-3,5-6,9-10H2,1H3.
What are the key properties of 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).