N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine

C16H30N4 — CID 114556404

IUPACN-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCN(Cc1ccnn1CCC)CC1CCNCC1
InChIInChI=1S/C16H30N4/c1-3-11-19(13-15-5-8-17-9-6-15)14-16-7-10-18-20(16)12-4-2/h7,10,15,17H,3-6,8-9,11-14H2,1-2H3
InChIKeyHEJZCKHJCTTYHQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.50
Rot. Bonds8

About N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine

N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 114556404) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID114556404
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCN(Cc1ccnn1CCC)CC1CCNCC1
InChIInChI=1S/C16H30N4/c1-3-11-19(13-15-5-8-17-9-6-15)14-16-7-10-18-20(16)12-4-2/h7,10,15,17H,3-6,8-9,11-14H2,1-2H3
InChIKeyHEJZCKHJCTTYHQ-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 114556405
1-propyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 114557866
N-propyl-N-[(2-propylpyrazol-3-yl)methyl]piperidin-3-amine
CID 114556340
2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
CID 114557965
N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714314
1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714567
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640781
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 104816804
1-[2-[piperidin-4-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
CID 79714384

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine (CID 114556404) is N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine is CCCN(Cc1ccnn1CCC)CC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is HEJZCKHJCTTYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-11-19(13-15-5-8-17-9-6-15)14-16-7-10-18-20(16)12-4-2/h7,10,15,17H,3-6,8-9,11-14H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine?
N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114556404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).