1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine

C19H35N5 — CID 164636403

IUPAC1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(C[C@H]2CCCN(Cc3cc(C(C)(C)C)n[nH]3)C2)CC1
InChIInChI=1S/C19H35N5/c1-19(2,3)18-12-17(20-21-18)15-24-7-5-6-16(14-24)13-23-10-8-22(4)9-11-23/h12,16H,5-11,13-15H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyOJPOWTOFXPWVJT-MRXNPFEDSA-N
MW333.52 g/mol
LogP2.17
Rot. Bonds4

About 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine

1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine (PubChem CID 164636403) has the molecular formula C19H35N5 and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
PubChem CID164636403
Molecular FormulaC19H35N5
Molecular Weight333.52 g/mol
Exact Mass333.29
IUPAC Name1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(C[C@H]2CCCN(Cc3cc(C(C)(C)C)n[nH]3)C2)CC1
InChIInChI=1S/C19H35N5/c1-19(2,3)18-12-17(20-21-18)15-24-7-5-6-16(14-24)13-23-10-8-22(4)9-11-23/h12,16H,5-11,13-15H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyOJPOWTOFXPWVJT-MRXNPFEDSA-N
XLogP2.17
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine (CID 164636403) is 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine is CN1CCN(C[C@H]2CCCN(Cc3cc(C(C)(C)C)n[nH]3)C2)CC1.
What is the InChIKey of 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine?
The InChIKey is OJPOWTOFXPWVJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H35N5/c1-19(2,3)18-12-17(20-21-18)15-24-7-5-6-16(14-24)13-23-10-8-22(4)9-11-23/h12,16H,5-11,13-15H2,1-4H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine?
1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine has a molecular weight of 333.52 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 164636403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).