1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine

C27H55N3O2 — CID 162741483

IUPAC1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine
SMILESC1CC(COCC2CCNCC2)CCN1.CCCC(CCC)COCC1CCN(C)CC1
InChIInChI=1S/C15H31NO.C12H24N2O/c1-4-6-14(7-5-2)12-17-13-15-8-10-16(3)11-9-15;1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12/h14-15H,4-13H2,1-3H3;11-14H,1-10H2
InChIKeyPJXQFNSRKWNSRC-UHFFFAOYSA-N
MW453.76 g/mol
LogP4.56
Rot. Bonds12

About 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine

1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine (PubChem CID 162741483) has the molecular formula C27H55N3O2 and a molecular weight of 453.76 g/mol. Its IUPAC name is 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine
PubChem CID162741483
Molecular FormulaC27H55N3O2
Molecular Weight453.76 g/mol
Exact Mass453.43
IUPAC Name1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine
SMILESC1CC(COCC2CCNCC2)CCN1.CCCC(CCC)COCC1CCN(C)CC1
InChIInChI=1S/C15H31NO.C12H24N2O/c1-4-6-14(7-5-2)12-17-13-15-8-10-16(3)11-9-15;1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12/h14-15H,4-13H2,1-3H3;11-14H,1-10H2
InChIKeyPJXQFNSRKWNSRC-UHFFFAOYSA-N
XLogP4.56
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.76
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[(1-Methylpiperidin-3-yl)methoxymethyl]piperidin-2-yl]methyl]piperazine
CID 130429169
1-(2-Piperidin-2-ylethyl)-2-(piperidin-4-ylmethoxy)piperidine
CID 141027514
4-Tert-butyl-1-methylpiperidine;4-tert-butyloxane;4-tert-butylpiperidine
CID 157669959
2-(Oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 166097454
1-[3-(Oxan-4-yl)butyl]-4-[1-(4-propan-2-ylpiperidin-2-yl)propan-2-yl]piperidine
CID 170388087
1-(2-Piperidin-4-ylethyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170569438
1-(2-Methoxyethyl)-4-[[4-(piperidin-1-ium-4-ylmethyl)piperidin-1-yl]methyl]piperidine
CID 172251891
Ethane;1-(2-methoxyethyl)-4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidine
CID 172252019
Ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine
CID 172605054
N-methyl-N-(oxan-4-ylmethyl)-2-piperidin-3-ylethanamine
CID 53410884
N-[[4-[(3-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 55066188
N-methyl-1-(oxan-4-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 55228004

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine?
The IUPAC name of 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine (CID 162741483) is 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine?
The canonical SMILES for 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine is C1CC(COCC2CCNCC2)CCN1.CCCC(CCC)COCC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine?
The InChIKey is PJXQFNSRKWNSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO.C12H24N2O/c1-4-6-14(7-5-2)12-17-13-15-8-10-16(3)11-9-15;1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12/h14-15H,4-13H2,1-3H3;11-14H,1-10H2.
What are the key properties of 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine?
1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine has a molecular weight of 453.76 g/mol, XLogP of 4.56, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine is sourced from PubChem (CID 162741483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).