3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol

C14H22N2O2 — CID 112585464

IUPAC3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
SMILESCCC(O)c1ccc(N(C)CC2CC(O)C2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-14(18)13-5-4-11(8-15-13)16(2)9-10-6-12(17)7-10/h4-5,8,10,12,14,17-18H,3,6-7,9H2,1-2H3
InChIKeyYUYPZWOJUDDHOG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.73
Rot. Bonds5

About 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol

3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol (PubChem CID 112585464) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
PubChem CID112585464
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
SMILESCCC(O)c1ccc(N(C)CC2CC(O)C2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-14(18)13-5-4-11(8-15-13)16(2)9-10-6-12(17)7-10/h4-5,8,10,12,14,17-18H,3,6-7,9H2,1-2H3
InChIKeyYUYPZWOJUDDHOG-UHFFFAOYSA-N
XLogP1.73
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol (CID 112585464) is 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol is CCC(O)c1ccc(N(C)CC2CC(O)C2)cn1.
What is the InChIKey of 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is YUYPZWOJUDDHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(18)13-5-4-11(8-15-13)16(2)9-10-6-12(17)7-10/h4-5,8,10,12,14,17-18H,3,6-7,9H2,1-2H3.
What are the key properties of 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol?
3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 112585464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).