[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride

C14H27ClN2O — CID 119545957

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2CCC(CNC)CC2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-6-14(7-8-14)13(17)16-9-4-12(5-10-16)11-15-2;/h12,15H,3-11H2,1-2H3;1H
InChIKeyNTFMEFYZZANUHD-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.45
Rot. Bonds5

About [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride

[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride (PubChem CID 119545957) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
PubChem CID119545957
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2CCC(CNC)CC2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-6-14(7-8-14)13(17)16-9-4-12(5-10-16)11-15-2;/h12,15H,3-11H2,1-2H3;1H
InChIKeyNTFMEFYZZANUHD-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone
CID 119647399
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546537
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119934487
[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119412481
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79612982
N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119542778
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
CID 119380695

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride (CID 119545957) is [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride is CCCC1(C(=O)N2CCC(CNC)CC2)CC1.Cl.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
The InChIKey is NTFMEFYZZANUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-3-6-14(7-8-14)13(17)16-9-4-12(5-10-16)11-15-2;/h12,15H,3-11H2,1-2H3;1H.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 119545957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).