[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid

C7H14N2O3 — CID 154997614

IUPAC[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)N[C@H]1CCNC[C@@H]1CO
InChIInChI=1S/C7H14N2O3/c10-4-5-3-8-2-1-6(5)9-7(11)12/h5-6,8-10H,1-4H2,(H,11,12)/t5-,6+/m1/s1
InChIKeyKKJZENLQRYFKND-RITPCOANSA-N
MW174.20 g/mol
LogP-0.78
Rot. Bonds2

About [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid

[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid (PubChem CID 154997614) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid
PubChem CID154997614
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)N[C@H]1CCNC[C@@H]1CO
InChIInChI=1S/C7H14N2O3/c10-4-5-3-8-2-1-6(5)9-7(11)12/h5-6,8-10H,1-4H2,(H,11,12)/t5-,6+/m1/s1
InChIKeyKKJZENLQRYFKND-RITPCOANSA-N
XLogP-0.78
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
(3-ethylpiperidin-4-yl)urea
CID 122589818
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746
oxalic acid;pyrrolidin-3-ylcarbamic acid
CID 66616538
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
N-[2-(hydroxymethyl)cyclohexyl]-3-pyrrolidin-3-ylpropanamide
CID 114178713
[(3R,4S)-4-methylpiperidin-3-yl]methanol
CID 124538044
[(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid
CID 122437100
N-[2-(hydroxymethyl)cyclopentyl]-2-piperidin-3-ylacetamide
CID 114178697
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid (CID 154997614) is [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid is O=C(O)N[C@H]1CCNC[C@@H]1CO.
What is the InChIKey of [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid?
The InChIKey is KKJZENLQRYFKND-RITPCOANSA-N. The full InChI is InChI=1S/C7H14N2O3/c10-4-5-3-8-2-1-6(5)9-7(11)12/h5-6,8-10H,1-4H2,(H,11,12)/t5-,6+/m1/s1.
What are the key properties of [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid?
[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid has a molecular weight of 174.20 g/mol, XLogP of -0.78, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 154997614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).