3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol

C12H24N2O — CID 106120847

IUPAC3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCC2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c15-12-2-1-11(7-12)9-14-8-10-3-5-13-6-4-10/h10-15H,1-9H2
InChIKeyDGANZZJBMBBXRI-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.74
Rot. Bonds4

About 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol

3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol (PubChem CID 106120847) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol
PubChem CID106120847
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCC2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c15-12-2-1-11(7-12)9-14-8-10-3-5-13-6-4-10/h10-15H,1-9H2
InChIKeyDGANZZJBMBBXRI-UHFFFAOYSA-N
XLogP0.74
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol (CID 106120847) is 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol is OC1CCC(CNCC2CCNCC2)C1.
What is the InChIKey of 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol?
The InChIKey is DGANZZJBMBBXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c15-12-2-1-11(7-12)9-14-8-10-3-5-13-6-4-10/h10-15H,1-9H2.
What are the key properties of 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol?
3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106120847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).