(2R,3R)-3-piperidin-1-ylbutan-2-ol

C9H19NO — CID 51980607

IUPAC(2R,3R)-3-piperidin-1-ylbutan-2-ol
SMILESC[C@H]([C@@H](C)O)N1CCCCC1
InChIInChI=1S/C9H19NO/c1-8(9(2)11)10-6-4-3-5-7-10/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyZLGJKFMVCXTIPS-RKDXNWHRSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds2

About (2R,3R)-3-piperidin-1-ylbutan-2-ol

(2R,3R)-3-piperidin-1-ylbutan-2-ol (PubChem CID 51980607) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R,3R)-3-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-piperidin-1-ylbutan-2-ol
PubChem CID51980607
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R,3R)-3-piperidin-1-ylbutan-2-ol
SMILESC[C@H]([C@@H](C)O)N1CCCCC1
InChIInChI=1S/C9H19NO/c1-8(9(2)11)10-6-4-3-5-7-10/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyZLGJKFMVCXTIPS-RKDXNWHRSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol
CID 59057792
(1S)-1-piperidin-1-ylethanol
CID 86312531
1-(3-hydroxybutan-2-yl)-4-methylazepan-4-ol
CID 107407212
3-(8-azaspiro[4.5]decan-8-yl)butan-2-ol
CID 63158941
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
ethane;1-(3-methylbutan-2-yl)pyrrolidine
CID 178106115
1-(3-hydroxybutan-2-yl)-3-methylpiperidin-3-ol
CID 115874049
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
(2S,3S)-1,2,3-tri(piperidin-1-yl)butan-1-one
CID 92573696
3-methyl-4-piperidin-1-ylpentanoic acid
CID 82397674
2-(azepan-1-yl)pentan-3-amine
CID 16789073

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-piperidin-1-ylbutan-2-ol?
The IUPAC name of (2R,3R)-3-piperidin-1-ylbutan-2-ol (CID 51980607) is (2R,3R)-3-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-piperidin-1-ylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-piperidin-1-ylbutan-2-ol is C[C@H]([C@@H](C)O)N1CCCCC1.
What is the InChIKey of (2R,3R)-3-piperidin-1-ylbutan-2-ol?
The InChIKey is ZLGJKFMVCXTIPS-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(9(2)11)10-6-4-3-5-7-10/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-3-piperidin-1-ylbutan-2-ol?
(2R,3R)-3-piperidin-1-ylbutan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 51980607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).