(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol

C7H16N2O — CID 94998579

IUPAC(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
SMILESCN1CCC[C@](O)(CN)C1
InChIInChI=1S/C7H16N2O/c1-9-4-2-3-7(10,5-8)6-9/h10H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyOXXQNRPBUIABRF-ZETCQYMHSA-N
MW144.22 g/mol
LogP-0.60
Rot. Bonds1

About (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol

(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol (PubChem CID 94998579) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
PubChem CID94998579
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
SMILESCN1CCC[C@](O)(CN)C1
InChIInChI=1S/C7H16N2O/c1-9-4-2-3-7(10,5-8)6-9/h10H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyOXXQNRPBUIABRF-ZETCQYMHSA-N
XLogP-0.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
3-(aminomethyl)-1-ethylpiperidin-3-ol
CID 83914177
3-(aminomethyl)-1-tert-butylpiperidin-3-ol
CID 115017167
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
(3-cyclopropyl-1-methylpiperidin-3-yl)methanamine
CID 83816076
3-(aminomethyl)-1-(2-methylphenyl)piperidin-3-ol
CID 115032266
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
CID 115037342
3-(ethylamino)-1-methylpiperidin-3-ol
CID 70384279
(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol
CID 124638982

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol?
The IUPAC name of (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol (CID 94998579) is (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol.
What is the SMILES notation for (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol?
The canonical SMILES for (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol is CN1CCC[C@](O)(CN)C1.
What is the InChIKey of (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol?
The InChIKey is OXXQNRPBUIABRF-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9-4-2-3-7(10,5-8)6-9/h10H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol?
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol has a molecular weight of 144.22 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-1-methylpiperidin-3-ol is sourced from PubChem (CID 94998579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).