N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine

C16H27N3 — CID 106622229

IUPACN-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCN1)C(C)c1ccncc1
InChIInChI=1S/C16H27N3/c1-13(2)19(12-16-6-4-5-9-18-16)14(3)15-7-10-17-11-8-15/h7-8,10-11,13-14,16,18H,4-6,9,12H2,1-3H3
InChIKeySXLKYYFFLPAOHC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.00
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine

N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine (PubChem CID 106622229) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
PubChem CID106622229
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCN1)C(C)c1ccncc1
InChIInChI=1S/C16H27N3/c1-13(2)19(12-16-6-4-5-9-18-16)14(3)15-7-10-17-11-8-15/h7-8,10-11,13-14,16,18H,4-6,9,12H2,1-3H3
InChIKeySXLKYYFFLPAOHC-UHFFFAOYSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622163
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622235
N-[1-(1-ethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602881
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603171
3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
CID 107720853
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603186
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622086
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine (CID 106622229) is N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine is CC(C)N(CC1CCCCN1)C(C)c1ccncc1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine?
The InChIKey is SXLKYYFFLPAOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)19(12-16-6-4-5-9-18-16)14(3)15-7-10-17-11-8-15/h7-8,10-11,13-14,16,18H,4-6,9,12H2,1-3H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine?
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 106622229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).