piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol

C12H24N2O3 — CID 69280006

IUPACpiperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol
SMILESO=C(O)N1CCCCC1.OC[C@H]1CCCNC1
InChIInChI=1S/C6H11NO2.C6H13NO/c8-6(9)7-4-2-1-3-5-7;8-5-6-2-1-3-7-4-6/h1-5H2,(H,8,9);6-8H,1-5H2/t;6-/m.0/s1
InChIKeyLXZDGCIAMLWXLU-ZCMDIHMWSA-N
MW244.33 g/mol
LogP1.13
Rot. Bonds1

About piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol

piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol (PubChem CID 69280006) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol.

Molecular Properties

Compound Namepiperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol
PubChem CID69280006
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namepiperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol
SMILESO=C(O)N1CCCCC1.OC[C@H]1CCCNC1
InChIInChI=1S/C6H11NO2.C6H13NO/c8-6(9)7-4-2-1-3-5-7;8-5-6-2-1-3-7-4-6/h1-5H2,(H,8,9);6-8H,1-5H2/t;6-/m.0/s1
InChIKeyLXZDGCIAMLWXLU-ZCMDIHMWSA-N
XLogP1.13
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-ylmethanol
CID 161361606
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
1,5-diazocane-1-carboxylic acid
CID 141313557
1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone
CID 82182083
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone
CID 107218340
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348

Frequently Asked Questions

What is the IUPAC name of piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol?
The IUPAC name of piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol (CID 69280006) is piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol.
What is the SMILES notation for piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol?
The canonical SMILES for piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol is O=C(O)N1CCCCC1.OC[C@H]1CCCNC1.
What is the InChIKey of piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol?
The InChIKey is LXZDGCIAMLWXLU-ZCMDIHMWSA-N. The full InChI is InChI=1S/C6H11NO2.C6H13NO/c8-6(9)7-4-2-1-3-5-7;8-5-6-2-1-3-7-4-6/h1-5H2,(H,8,9);6-8H,1-5H2/t;6-/m.0/s1.
What are the key properties of piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol?
piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol has a molecular weight of 244.33 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol is sourced from PubChem (CID 69280006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).