2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine

C19H40N8 — CID 176528708

IUPAC2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILES[H]/N=C(\N)NC1CCN(C(C)C/N=C(\N)N(C)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H40N8/c1-14(2)26-11-7-17(8-12-26)25(4)19(22)23-13-15(3)27-9-5-16(6-10-27)24-18(20)21/h14-17H,5-13H2,1-4H3,(H2,22,23)(H4,20,21,24)
InChIKeyQQPXGFORMFNKQM-UHFFFAOYSA-N
MW380.59 g/mol
LogP0.44
Rot. Bonds6

About 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine

2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine (PubChem CID 176528708) has the molecular formula C19H40N8 and a molecular weight of 380.59 g/mol. Its IUPAC name is 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine
PubChem CID176528708
Molecular FormulaC19H40N8
Molecular Weight380.59 g/mol
Exact Mass380.34
IUPAC Name2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILES[H]/N=C(\N)NC1CCN(C(C)C/N=C(\N)N(C)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H40N8/c1-14(2)26-11-7-17(8-12-26)25(4)19(22)23-13-15(3)27-9-5-16(6-10-27)24-18(20)21/h14-17H,5-13H2,1-4H3,(H2,22,23)(H4,20,21,24)
InChIKeyQQPXGFORMFNKQM-UHFFFAOYSA-N
XLogP0.44
TPSA110.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.59
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine?
The IUPAC name of 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine (CID 176528708) is 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine is [H]/N=C(\N)NC1CCN(C(C)C/N=C(\N)N(C)C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine?
The InChIKey is QQPXGFORMFNKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N8/c1-14(2)26-11-7-17(8-12-26)25(4)19(22)23-13-15(3)27-9-5-16(6-10-27)24-18(20)21/h14-17H,5-13H2,1-4H3,(H2,22,23)(H4,20,21,24).
What are the key properties of 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine?
2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine has a molecular weight of 380.59 g/mol, XLogP of 0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-carbamimidamidopiperidin-1-yl)propyl]-1-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine is sourced from PubChem (CID 176528708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).