4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine

C14H23BrN4 — CID 119931610

IUPAC4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine
SMILESBrc1cnn(C2CCN(CC3CCCNC3)CC2)c1
InChIInChI=1S/C14H23BrN4/c15-13-9-17-19(11-13)14-3-6-18(7-4-14)10-12-2-1-5-16-8-12/h9,11-12,14,16H,1-8,10H2
InChIKeyFERDWIIPAJUOFB-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.28
Rot. Bonds3

About 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine

4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine (PubChem CID 119931610) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine
PubChem CID119931610
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine
SMILESBrc1cnn(C2CCN(CC3CCCNC3)CC2)c1
InChIInChI=1S/C14H23BrN4/c15-13-9-17-19(11-13)14-3-6-18(7-4-14)10-12-2-1-5-16-8-12/h9,11-12,14,16H,1-8,10H2
InChIKeyFERDWIIPAJUOFB-UHFFFAOYSA-N
XLogP2.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol
CID 163407531
N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120847820
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-amine
CID 155280275
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
3-(4-bromopyrazol-1-yl)piperidine;tert-butyl formate
CID 174626038
1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851129
[4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
CID 82380397
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine (CID 119931610) is 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine is Brc1cnn(C2CCN(CC3CCCNC3)CC2)c1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine?
The InChIKey is FERDWIIPAJUOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c15-13-9-17-19(11-13)14-3-6-18(7-4-14)10-12-2-1-5-16-8-12/h9,11-12,14,16H,1-8,10H2.
What are the key properties of 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine?
4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine has a molecular weight of 327.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine is sourced from PubChem (CID 119931610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).