3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine

C14H26N4O — CID 83090694

IUPAC3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCc1nn(C)cc1CN1CCC(OCCCN)CC1
InChIInChI=1S/C14H26N4O/c1-12-13(10-17(2)16-12)11-18-7-4-14(5-8-18)19-9-3-6-15/h10,14H,3-9,11,15H2,1-2H3
InChIKeyBAMYOSMCHVXGMU-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.06
Rot. Bonds6

About 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine

3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 83090694) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID83090694
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCc1nn(C)cc1CN1CCC(OCCCN)CC1
InChIInChI=1S/C14H26N4O/c1-12-13(10-17(2)16-12)11-18-7-4-14(5-8-18)19-9-3-6-15/h10,14H,3-9,11,15H2,1-2H3
InChIKeyBAMYOSMCHVXGMU-UHFFFAOYSA-N
XLogP1.06
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732713
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732218
3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 114851329
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 79731898
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932
3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79735044
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
CID 79735005

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine (CID 83090694) is 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine is Cc1nn(C)cc1CN1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is BAMYOSMCHVXGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12-13(10-17(2)16-12)11-18-7-4-14(5-8-18)19-9-3-6-15/h10,14H,3-9,11,15H2,1-2H3.
What are the key properties of 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 83090694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).