2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol

C11H22N2O — CID 114756019

IUPAC2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCCNC2)CC1
InChIInChI=1S/C11H22N2O/c14-7-5-11(3-4-11)9-13-10-2-1-6-12-8-10/h10,12-14H,1-9H2
InChIKeyUAIOAECQKXYXMG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.49
Rot. Bonds5

About 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol

2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol (PubChem CID 114756019) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol
PubChem CID114756019
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCCNC2)CC1
InChIInChI=1S/C11H22N2O/c14-7-5-11(3-4-11)9-13-10-2-1-6-12-8-10/h10,12-14H,1-9H2
InChIKeyUAIOAECQKXYXMG-UHFFFAOYSA-N
XLogP0.49
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol (CID 114756019) is 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol is OCCC1(CNC2CCCNC2)CC1.
What is the InChIKey of 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol?
The InChIKey is UAIOAECQKXYXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c14-7-5-11(3-4-11)9-13-10-2-1-6-12-8-10/h10,12-14H,1-9H2.
What are the key properties of 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol?
2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).