1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride

C14H27ClN2O2 — CID 119423632

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
SMILESCC1CCC(CCC(=O)N2CCC(CN)CC2)O1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11-2-3-13(18-11)4-5-14(17)16-8-6-12(10-15)7-9-16;/h11-13H,2-10,15H2,1H3;1H
InChIKeyHPGXDKRNVICDMI-UHFFFAOYSA-N
MW290.83 g/mol
LogP1.95
Rot. Bonds4

About 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride

1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride (PubChem CID 119423632) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
PubChem CID119423632
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
SMILESCC1CCC(CCC(=O)N2CCC(CN)CC2)O1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11-2-3-13(18-11)4-5-14(17)16-8-6-12(10-15)7-9-16;/h11-13H,2-10,15H2,1H3;1H
InChIKeyHPGXDKRNVICDMI-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
CID 119646888
3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 119402493
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 120814805
2-[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125153357
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 120746682
1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
CID 68628787
(3S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153948
(3S)-4-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153950
2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid
CID 129468282
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113411276
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride (CID 119423632) is 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride is CC1CCC(CCC(=O)N2CCC(CN)CC2)O1.Cl.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride?
The InChIKey is HPGXDKRNVICDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-11-2-3-13(18-11)4-5-14(17)16-8-6-12(10-15)7-9-16;/h11-13H,2-10,15H2,1H3;1H.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride?
1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119423632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).