N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine

C17H32N4 — CID 56748665

IUPACN,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine
SMILESCCCc1cc(CN(C)C2CC(C)(C)NC(C)(C)C2)[nH]n1
InChIInChI=1S/C17H32N4/c1-7-8-13-9-14(19-18-13)12-21(6)15-10-16(2,3)20-17(4,5)11-15/h9,15,20H,7-8,10-12H2,1-6H3,(H,18,19)
InChIKeyXRROHKFJMYXHNB-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.10
Rot. Bonds5

About N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine

N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine (PubChem CID 56748665) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine
PubChem CID56748665
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine
SMILESCCCc1cc(CN(C)C2CC(C)(C)NC(C)(C)C2)[nH]n1
InChIInChI=1S/C17H32N4/c1-7-8-13-9-14(19-18-13)12-21(6)15-10-16(2,3)20-17(4,5)11-15/h9,15,20H,7-8,10-12H2,1-6H3,(H,18,19)
InChIKeyXRROHKFJMYXHNB-UHFFFAOYSA-N
XLogP3.10
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine (CID 56748665) is N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine is CCCc1cc(CN(C)C2CC(C)(C)NC(C)(C)C2)[nH]n1.
What is the InChIKey of N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is XRROHKFJMYXHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-7-8-13-9-14(19-18-13)12-21(6)15-10-16(2,3)20-17(4,5)11-15/h9,15,20H,7-8,10-12H2,1-6H3,(H,18,19).
What are the key properties of N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine?
N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 292.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,6,6-pentamethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 56748665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).