acetic acid;piperidin-4-amine

C7H16N2O2 — CID 172796704

IUPACacetic acid;piperidin-4-amine
SMILESCC(=O)O.NC1CCNCC1
InChIInChI=1S/C5H12N2.C2H4O2/c6-5-1-3-7-4-2-5;1-2(3)4/h5,7H,1-4,6H2;1H3,(H,3,4)
InChIKeyQHLCMTIMVOHYCU-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.21
Rot. Bonds

About acetic acid;piperidin-4-amine

acetic acid;piperidin-4-amine (PubChem CID 172796704) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is acetic acid;piperidin-4-amine.

Molecular Properties

Compound Nameacetic acid;piperidin-4-amine
PubChem CID172796704
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameacetic acid;piperidin-4-amine
SMILESCC(=O)O.NC1CCNCC1
InChIInChI=1S/C5H12N2.C2H4O2/c6-5-1-3-7-4-2-5;1-2(3)4/h5,7H,1-4,6H2;1H3,(H,3,4)
InChIKeyQHLCMTIMVOHYCU-UHFFFAOYSA-N
XLogP-0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;3-piperidin-4-ylpropanoyl chloride
CID 174419355
carbonic acid;cyclopropanamine
CID 70000861
piperidin-4-amine;piperidine
CID 172695620
acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate
CID 131719663
acetic acid;(1R)-1-piperidin-4-ylethanol
CID 66673151
1-piperidin-4-ylethanone
CID 2723764
azepan-4-amine;dihydrochloride
CID 118989390
acetic acid;methyl 2-pyrrolidin-3-ylacetate
CID 70009063
acetic acid;1,4,7,10-tetrazacyclotetradecane
CID 175503843
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
piperidin-4-amine;toluene;hydrate;dihydrochloride
CID 174417321

Frequently Asked Questions

What is the IUPAC name of acetic acid;piperidin-4-amine?
The IUPAC name of acetic acid;piperidin-4-amine (CID 172796704) is acetic acid;piperidin-4-amine.
What is the SMILES notation for acetic acid;piperidin-4-amine?
The canonical SMILES for acetic acid;piperidin-4-amine is CC(=O)O.NC1CCNCC1.
What is the InChIKey of acetic acid;piperidin-4-amine?
The InChIKey is QHLCMTIMVOHYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C2H4O2/c6-5-1-3-7-4-2-5;1-2(3)4/h5,7H,1-4,6H2;1H3,(H,3,4).
What are the key properties of acetic acid;piperidin-4-amine?
acetic acid;piperidin-4-amine has a molecular weight of 160.22 g/mol, XLogP of -0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;piperidin-4-amine is sourced from PubChem (CID 172796704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).