(3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol

C10H22N2O — CID 150750157

IUPAC(3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol
SMILESCC(C)(C)N1CC[C@@H](CN)[C@H](O)C1
InChIInChI=1S/C10H22N2O/c1-10(2,3)12-5-4-8(6-11)9(13)7-12/h8-9,13H,4-7,11H2,1-3H3/t8-,9+/m0/s1
InChIKeyJVRNTNGAXJXQFN-DTWKUNHWSA-N
MW186.30 g/mol
LogP0.43
Rot. Bonds1

About (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol

(3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol (PubChem CID 150750157) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol
PubChem CID150750157
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol
SMILESCC(C)(C)N1CC[C@@H](CN)[C@H](O)C1
InChIInChI=1S/C10H22N2O/c1-10(2,3)12-5-4-8(6-11)9(13)7-12/h8-9,13H,4-7,11H2,1-3H3/t8-,9+/m0/s1
InChIKeyJVRNTNGAXJXQFN-DTWKUNHWSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol?
The IUPAC name of (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol (CID 150750157) is (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol is CC(C)(C)N1CC[C@@H](CN)[C@H](O)C1.
What is the InChIKey of (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol?
The InChIKey is JVRNTNGAXJXQFN-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)12-5-4-8(6-11)9(13)7-12/h8-9,13H,4-7,11H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol?
(3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(aminomethyl)-1-tert-butylpiperidin-3-ol is sourced from PubChem (CID 150750157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).