1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine

C17H31N5 — CID 171359820

IUPAC1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine
SMILESCN1CCN(C[C@H]2CCCN(CCCn3cccn3)C2)CC1
InChIInChI=1S/C17H31N5/c1-19-11-13-21(14-12-19)16-17-5-2-7-20(15-17)8-4-10-22-9-3-6-18-22/h3,6,9,17H,2,4-5,7-8,10-16H2,1H3/t17-/m0/s1
InChIKeyKUSBPKLRJIINBX-KRWDZBQOSA-N
MW305.47 g/mol
LogP1.23
Rot. Bonds6

About 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine

1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine (PubChem CID 171359820) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine
PubChem CID171359820
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine
SMILESCN1CCN(C[C@H]2CCCN(CCCn3cccn3)C2)CC1
InChIInChI=1S/C17H31N5/c1-19-11-13-21(14-12-19)16-17-5-2-7-20(15-17)8-4-10-22-9-3-6-18-22/h3,6,9,17H,2,4-5,7-8,10-16H2,1H3/t17-/m0/s1
InChIKeyKUSBPKLRJIINBX-KRWDZBQOSA-N
XLogP1.23
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine (CID 171359820) is 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine is CN1CCN(C[C@H]2CCCN(CCCn3cccn3)C2)CC1.
What is the InChIKey of 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine?
The InChIKey is KUSBPKLRJIINBX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H31N5/c1-19-11-13-21(14-12-19)16-17-5-2-7-20(15-17)8-4-10-22-9-3-6-18-22/h3,6,9,17H,2,4-5,7-8,10-16H2,1H3/t17-/m0/s1.
What are the key properties of 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine?
1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine has a molecular weight of 305.47 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]piperazine is sourced from PubChem (CID 171359820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).