(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol

C10H22N2O — CID 99962951

IUPAC(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol
SMILESCC[C@H](O)CNC[C@@H]1CCCNC1
InChIInChI=1S/C10H22N2O/c1-2-10(13)8-12-7-9-4-3-5-11-6-9/h9-13H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyULJHHQKEXXEQEX-ZJUUUORDSA-N
MW186.30 g/mol
LogP0.35
Rot. Bonds5

About (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol

(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol (PubChem CID 99962951) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol
PubChem CID99962951
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol
SMILESCC[C@H](O)CNC[C@@H]1CCCNC1
InChIInChI=1S/C10H22N2O/c1-2-10(13)8-12-7-9-4-3-5-11-6-9/h9-13H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyULJHHQKEXXEQEX-ZJUUUORDSA-N
XLogP0.35
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-3-ylmethylamino)butan-2-ol
CID 102551549
4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol
CID 107151382
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine
CID 80555810
1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939364
1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 106638403
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106289581
3-methyl-1-piperidin-3-ylpentan-2-one
CID 116564111
N-(2-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 62674871
2-methoxy-N-(piperidin-3-ylmethyl)butanamide
CID 119461438
2-(cyclopentylmethyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119460240

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol?
The IUPAC name of (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol (CID 99962951) is (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol.
What is the SMILES notation for (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol?
The canonical SMILES for (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol is CC[C@H](O)CNC[C@@H]1CCCNC1.
What is the InChIKey of (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol?
The InChIKey is ULJHHQKEXXEQEX-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-10(13)8-12-7-9-4-3-5-11-6-9/h9-13H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol?
(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol is sourced from PubChem (CID 99962951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).