N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine

C15H26N4 — CID 56707934

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine
SMILESCN(Cc1n[nH]c2c1CCCCC2)C1CCCNC1
InChIInChI=1S/C15H26N4/c1-19(12-6-5-9-16-10-12)11-15-13-7-3-2-4-8-14(13)17-18-15/h12,16H,2-11H2,1H3,(H,17,18)
InChIKeyGXPDMXUQHHSRIQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.86
Rot. Bonds3

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine (PubChem CID 56707934) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine
PubChem CID56707934
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine
SMILESCN(Cc1n[nH]c2c1CCCCC2)C1CCCNC1
InChIInChI=1S/C15H26N4/c1-19(12-6-5-9-16-10-12)11-15-13-7-3-2-4-8-14(13)17-18-15/h12,16H,2-11H2,1H3,(H,17,18)
InChIKeyGXPDMXUQHHSRIQ-UHFFFAOYSA-N
XLogP1.86
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
CID 71695369
1-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl)-N-methylmethanamine
CID 17998749
(2S)-N-cyclopentyl-2-[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)amino]propanamide
CID 95218136
(2S)-1-(azepan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]propan-2-amine
CID 164635296
3-Isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893260
2,2,2-trifluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine
CID 62113041
2,2-difluoro-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)ethanamine
CID 115407018
Ethyl 4-[(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)amino]piperidine-1-carboxylate
CID 50969318
1,4-Dithiepan-6-yl(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)amine
CID 56706517
(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)methyl(2-methyl-2-morpholin-4-ylpropyl)amine
CID 77088880
4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine
CID 23559247
3-Ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893256

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine (CID 56707934) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine is CN(Cc1n[nH]c2c1CCCCC2)C1CCCNC1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine?
The InChIKey is GXPDMXUQHHSRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-19(12-6-5-9-16-10-12)11-15-13-7-3-2-4-8-14(13)17-18-15/h12,16H,2-11H2,1H3,(H,17,18).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 56707934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).