1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine

C16H32N6 — CID 1431560

IUPAC1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine
SMILESCCCN1CCN([C@H](c2nnnn2C(C)(C)C)C(C)C)CC1
InChIInChI=1S/C16H32N6/c1-7-8-20-9-11-21(12-10-20)14(13(2)3)15-17-18-19-22(15)16(4,5)6/h13-14H,7-12H2,1-6H3/t14-/m0/s1
InChIKeyWTWYDQSOVDCZRO-AWEZNQCLSA-N
MW308.47 g/mol
LogP2.15
Rot. Bonds5

About 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine

1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine (PubChem CID 1431560) has the molecular formula C16H32N6 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine
PubChem CID1431560
Molecular FormulaC16H32N6
Molecular Weight308.47 g/mol
Exact Mass308.27
IUPAC Name1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine
SMILESCCCN1CCN([C@H](c2nnnn2C(C)(C)C)C(C)C)CC1
InChIInChI=1S/C16H32N6/c1-7-8-20-9-11-21(12-10-20)14(13(2)3)15-17-18-19-22(15)16(4,5)6/h13-14H,7-12H2,1-6H3/t14-/m0/s1
InChIKeyWTWYDQSOVDCZRO-AWEZNQCLSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine?
The IUPAC name of 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine (CID 1431560) is 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine.
What is the SMILES notation for 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine?
The canonical SMILES for 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine is CCCN1CCN([C@H](c2nnnn2C(C)(C)C)C(C)C)CC1.
What is the InChIKey of 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine?
The InChIKey is WTWYDQSOVDCZRO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32N6/c1-7-8-20-9-11-21(12-10-20)14(13(2)3)15-17-18-19-22(15)16(4,5)6/h13-14H,7-12H2,1-6H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine?
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine has a molecular weight of 308.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine is sourced from PubChem (CID 1431560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).