N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride

C15H27Cl2N3O — CID 119926784

IUPACN-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride
SMILESCc1nc(CN2CCC(NCC3CC3)CC2)oc1C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-11-12(2)19-15(17-11)10-18-7-5-14(6-8-18)16-9-13-3-4-13;;/h13-14,16H,3-10H2,1-2H3;2*1H
InChIKeyJKWUTFATKFYGDX-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.10
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride

N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride (PubChem CID 119926784) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride
PubChem CID119926784
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC NameN-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride
SMILESCc1nc(CN2CCC(NCC3CC3)CC2)oc1C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-11-12(2)19-15(17-11)10-18-7-5-14(6-8-18)16-9-13-3-4-13;;/h13-14,16H,3-10H2,1-2H3;2*1H
InChIKeyJKWUTFATKFYGDX-UHFFFAOYSA-N
XLogP3.10
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine
CID 114180493
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
CID 119923701
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926686
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
3-(cyclopropylamino)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 126819950
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-methylpyrimidin-2-amine
CID 133309903
1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111765521
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119884318
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61204064
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114180494

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride (CID 119926784) is N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride is Cc1nc(CN2CCC(NCC3CC3)CC2)oc1C.Cl.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is JKWUTFATKFYGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-11-12(2)19-15(17-11)10-18-7-5-14(6-8-18)16-9-13-3-4-13;;/h13-14,16H,3-10H2,1-2H3;2*1H.
What are the key properties of N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride?
N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 119926784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).