1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol

C11H22N2O — CID 121203017

IUPAC1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol
SMILESNCCN1CCC(O)C(CC2CC2)C1
InChIInChI=1S/C11H22N2O/c12-4-6-13-5-3-11(14)10(8-13)7-9-1-2-9/h9-11,14H,1-8,12H2
InChIKeyPERGWJUBSMOSBH-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.43
Rot. Bonds4

About 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol

1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol (PubChem CID 121203017) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol
PubChem CID121203017
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol
SMILESNCCN1CCC(O)C(CC2CC2)C1
InChIInChI=1S/C11H22N2O/c12-4-6-13-5-3-11(14)10(8-13)7-9-1-2-9/h9-11,14H,1-8,12H2
InChIKeyPERGWJUBSMOSBH-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129497955
(3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol
CID 129495551
1-(2-aminoethyl)-3-(2-methylpropyl)piperidin-4-ol
CID 121202994
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone
CID 121203025
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
1-(2-aminoethyl)pyrrolidine-3,4-diol
CID 72789543
1-methyl-3-(piperidin-4-ylmethyl)piperidin-4-ol
CID 119054544
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
4-(cyclopentylmethyl)-1-methylpyrrolidin-3-ol
CID 145293090
3-chloro-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]propan-1-one
CID 121203024
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
CID 114511149

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol?
The IUPAC name of 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol (CID 121203017) is 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol is NCCN1CCC(O)C(CC2CC2)C1.
What is the InChIKey of 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol?
The InChIKey is PERGWJUBSMOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-4-6-13-5-3-11(14)10(8-13)7-9-1-2-9/h9-11,14H,1-8,12H2.
What are the key properties of 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol?
1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol has a molecular weight of 198.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(cyclopropylmethyl)piperidin-4-ol is sourced from PubChem (CID 121203017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).